58677310 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 17 7 6 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 3 3 4 4 4 5 5 5 6 6 6 7 8 8 8 9 9 10 10 11 11 12 7 11 4 5 6 13 7 14 15 8 16 17 18 19 20 9 21 22 23 10 24 12 25 12 26 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 3 4 5 6 13 3 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 8.0622 6.3301 3.732 4.5981 2.866 3.732 5.4641 2 5.4641 6.3301 7.1962 7.1962 4.269 4.1996 4.9966 2.4675 3.2646 4.352 3.732 3.112 2.31 1.4631 1.69 4.9272 6.3301 7.7331 1 -1 -0.5 -1 -1 0.5 -0.5 -0.5 0.5 1 -0.5 0.5 -0.19 -1.475 -1.475 -1.475 -1.475 0.5 1.12 0.5 0.0369 -0.19 -1.0369 0.81 1.62 -0.81 8 8 3 8 8 8 8 2 2 3 7 9 10 11 7 11 6 9 10 12 12 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 127 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07200000400000000000000000000000000000000002C0000000000000000018000001C02000000000D0AC116243E8092081000A0013467440082802031072008D8203866980820E2C19391C42008608000C8C8071080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-2-(2-methylbutyl)pyridine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-2-(2-methylbutyl)pyridine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-2-(2-methylbutyl)pyridine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-2-(2-methylbutyl)pyridine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloranyl-2-(2-methylbutyl)pyridine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-chloro-2-(2-methylbutyl)pyridine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H14ClN/c1-3-8(2)6-10-5-4-9(11)7-12-10/h4-5,7-8H,3,6H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FHWZWUGANCTVAR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 183.0814771 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H14ClN Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 183.68 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(C)CC1=NC=C(C=C1)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(C)CC1=NC=C(C=C1)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 2021.05.07 183.0814771 12 1 0 1 0 0 0 0 1 -1