69109992 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 17 7 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 3 3 4 4 5 5 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 14 6 3 13 4 5 6 7 8 9 10 15 16 17 11 18 12 19 13 20 14 21 14 22 23 24 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 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 2 4.5981 3.732 2.866 3.732 2.866 2 2.866 4.5981 3.732 2.866 4.5981 4.5981 3.732 1.69 1.4631 2.31 2.3291 5.135 3.732 2.3291 5.135 5.135 3.732 2.5 1 0.5 1 -0.5 2 0.5 -1 -1 2.5 -2 -2 2 -2.5 1.0369 0.19 -0.0369 -0.69 -0.69 3.12 -2.31 -2.31 2.31 -3.12 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 4 5 5 6 8 9 10 11 12 3 13 4 6 8 9 10 11 12 13 14 14 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 177 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07200000400000000000000000000000000000000003C400000000000000001C000001C02000000000C0AC11E243E8092081000A0033467440082802031072008D8203866980820E2C19391842008608000C8C8071080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-3-methyl-2-phenyl-pyridine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-3-methyl-2-phenylpyridine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-3-methyl-2-phenylpyridine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-3-methyl-2-phenylpyridine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloranyl-3-methyl-2-phenyl-pyridine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-chloro-3-methyl-2-phenyl-pyridine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H10ClN/c1-9-11(13)7-8-14-12(9)10-5-3-2-4-6-10/h2-8H,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XNQBJYZIWXOEFY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.0501770 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H10ClN Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.67 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=CN=C1C2=CC=CC=C2)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=CN=C1C2=CC=CC=C2)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 12.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 203.0501770 14 0 0 0 0 0 0 0 1 -1