70702453 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 8 8 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 6 6 6 7 9 9 10 10 10 11 11 11 12 12 12 8 12 9 25 5 8 5 7 10 9 7 8 11 13 14 15 16 17 18 19 20 21 22 23 24 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 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 25 6.001 2.5369 4.269 3.403 3.403 5.135 4.269 5.135 2.5369 2.5369 6.001 6.001 4.269 2.3249 1.9264 2.8469 2 2.2269 6.311 6.538 5.691 5.381 6.001 6.621 2 -0.345 -1.345 -0.345 1.155 0.155 1.155 1.655 0.155 -0.345 1.655 1.655 -1.345 2.275 0.2376 -0.4527 2.1919 1.965 1.1181 1.1181 1.965 2.1919 -1.345 -1.965 -1.345 -1.655 8 8 8 8 8 8 3 3 4 4 6 6 5 8 5 7 7 8 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 141 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371C07230000000000000000000000000000000000000002C0000000000000000018000001E00000800000C08A19E02328492081600A00324624404828820212020009820344C980E36E2C4B19B84702864C011D8F8079050110E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-3,5-dimethyl-2-pyridyl)methanol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-3,5-dimethyl-2-pyridinyl)methanol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-3,5-dimethylpyridin-2-yl)methanol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-3,5-dimethylpyridin-2-yl)methanol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-3,5-dimethyl-pyridin-2-yl)methanol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-3,5-dimethyl-2-pyridyl)methanol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C9H13NO2/c1-6-4-7(2)9(12-3)10-8(6)5-11/h4,11H,5H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OEBCBJFNSYRPHY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 167.094628657 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C9H13NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 167.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(N=C1CO)OC)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=C(N=C1CO)OC)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 42.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 167.094628657 12 0 0 0 0 0 0 0 1 -1