71369388 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 6 6 7 8 9 9 10 10 11 11 12 13 13 14 15 15 16 16 17 14 4 6 10 8 16 5 9 7 8 7 14 18 13 11 19 12 20 12 21 22 15 23 24 17 25 17 26 27 2 1 1 1 1 2 2 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 5.9674 3.732 5.9674 3.732 4.6783 4.6783 5.2619 4.9889 2.866 2.866 2 2 4.3211 4.9889 4.6318 6.2781 5.6103 5.8819 2.866 2.866 1.4631 1.4631 3.7144 4.5749 4.2177 6.8848 5.8029 -2.6813 -1.2198 1.2417 -0.2198 0.0849 -1.5245 -0.7198 1.0355 0.2802 -1.7198 -0.2198 -1.2198 1.7798 -2.475 2.7303 2.1922 2.9365 -0.7198 0.9002 -2.3398 0.0902 -1.5298 1.6519 -2.9365 3.1918 2.3201 3.5258 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 4 5 6 8 9 10 11 13 15 16 4 6 10 8 16 5 9 7 7 13 11 12 12 15 17 17 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 281 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07320000000000000000000000000000001600000002C580000000000005801F800001E00000000000C08E19E063CC0B30C1800A8033C77C40082802037022008D821B864D80820F2C0D5B1842108608000C8C9871889C09E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-pyridyl)indolizine-3-carbaldehyde IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-pyridinyl)-3-indolizinecarboxaldehyde IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-pyridin-2-ylindolizine-3-carbaldehyde IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-pyridin-2-ylindolizine-3-carbaldehyde IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-pyridin-2-ylindolizine-3-carbaldehyde IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2-pyridyl)indolizine-3-carbaldehyde InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H10N2O/c17-10-11-9-12(13-5-1-3-7-15-13)14-6-2-4-8-16(11)14/h1-10H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MPCJKUYLIDOPRH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.079312947 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H10N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.24 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)C2=C3C=CC=CN3C(=C2)C=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=NC(=C1)C2=C3C=CC=CN3C(=C2)C=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 34.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.079312947 17 0 0 0 0 0 0 0 1 -1