6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile

C19H14ClN3O — CID 164955818

IUPAC6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ncccc2Cl)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C19H14ClN3O/c1-12-5-7-13(8-6-12)14-10-17(18-16(20)4-3-9-22-18)23-19(24-2)15(14)11-21/h3-10H,1-2H3
InChIKeyBDODRILHQUSJSQ-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.65
Rot. Bonds3

About 6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile

6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 164955818) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID164955818
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCOc1nc(-c2ncccc2Cl)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C19H14ClN3O/c1-12-5-7-13(8-6-12)14-10-17(18-16(20)4-3-9-22-18)23-19(24-2)15(14)11-21/h3-10H,1-2H3
InChIKeyBDODRILHQUSJSQ-UHFFFAOYSA-N
XLogP4.65
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-2-methoxy-6-(3-methoxy-2-pyridinyl)pyridine-3-carbonitrile
CID 154644718
6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 10641600
6-(2-fluorophenyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 165017250
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile
CID 14950543
4-(4-chlorophenyl)-6-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-2-methoxypyridine-3-carbonitrile
CID 135753499
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
6-(2-chlorophenyl)-2-ethoxy-4-pyridin-3-ylpyridine-3-carbonitrile
CID 171429616
N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 70924863
2-chloro-6-(4-methylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;2,6-dichloro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 157410503
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-4-(3-chloro-2-pyridinyl)benzonitrile
CID 22030226

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile (CID 164955818) is 6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile is COc1nc(-c2ncccc2Cl)cc(-c2ccc(C)cc2)c1C#N.
What is the InChIKey of 6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is BDODRILHQUSJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c1-12-5-7-13(8-6-12)14-10-17(18-16(20)4-3-9-22-18)23-19(24-2)15(14)11-21/h3-10H,1-2H3.
What are the key properties of 6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 335.79 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-pyridinyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 164955818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).