5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine

C19H16Cl2N2O — CID 161309004

IUPAC5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(Cl)=CC(c2ccccc2)=C(c2ncc(OC)cc2Cl)N1C
InChIInChI=1S/C19H16Cl2N2O/c1-12-16(20)10-15(13-7-5-4-6-8-13)19(23(12)2)18-17(21)9-14(24-3)11-22-18/h4-11H,1H2,2-3H3
InChIKeyGNEMYIBVKTVAHE-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.19
Rot. Bonds3

About 5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine

5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine (PubChem CID 161309004) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is 5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine.

Molecular Properties

Compound Name5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine
PubChem CID161309004
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(Cl)=CC(c2ccccc2)=C(c2ncc(OC)cc2Cl)N1C
InChIInChI=1S/C19H16Cl2N2O/c1-12-16(20)10-15(13-7-5-4-6-8-13)19(23(12)2)18-17(21)9-14(24-3)11-22-18/h4-11H,1H2,2-3H3
InChIKeyGNEMYIBVKTVAHE-UHFFFAOYSA-N
XLogP5.19
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane
CID 158999481
3-chloro-2-(2,3-difluorophenyl)-5-methoxypyridine
CID 133088408
5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane
CID 160904167
2,5-dichloro-4-(3-methoxy-5-phenylphenyl)pyrimidine
CID 171627180
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
3-chloro-2,5,6-tris(4-methoxyphenyl)pyridine
CID 122233245
3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine
CID 133090437
2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole
CID 54104212
8-chloro-3-methoxyquinoline
CID 11074271
2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 102314201
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine?
The IUPAC name of 5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine (CID 161309004) is 5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine.
What is the SMILES notation for 5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine?
The canonical SMILES for 5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine is C=C1C(Cl)=CC(c2ccccc2)=C(c2ncc(OC)cc2Cl)N1C.
What is the InChIKey of 5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine?
The InChIKey is GNEMYIBVKTVAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c1-12-16(20)10-15(13-7-5-4-6-8-13)19(23(12)2)18-17(21)9-14(24-3)11-22-18/h4-11H,1H2,2-3H3.
What are the key properties of 5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine?
5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine has a molecular weight of 359.26 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chloro-5-methoxy-2-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine is sourced from PubChem (CID 161309004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).