2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile

C15H13ClN2O — CID 94282086

IUPAC2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(-c2nc(Cl)c(C#N)c(C)c2C)c1
InChIInChI=1S/C15H13ClN2O/c1-9-10(2)14(18-15(16)13(9)8-17)11-5-4-6-12(7-11)19-3/h4-7H,1-3H3
InChIKeyXYGQDWWVNSYFHE-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.90
Rot. Bonds2

About 2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile

2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile (PubChem CID 94282086) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
PubChem CID94282086
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(-c2nc(Cl)c(C#N)c(C)c2C)c1
InChIInChI=1S/C15H13ClN2O/c1-9-10(2)14(18-15(16)13(9)8-17)11-5-4-6-12(7-11)19-3/h4-7H,1-3H3
InChIKeyXYGQDWWVNSYFHE-UHFFFAOYSA-N
XLogP3.90
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
2,6-bis(3-methoxyphenyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 176522061
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82342890
2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94280813
1-chloro-2-(3-methoxyphenyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 86598233
4-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135518067
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 4096252
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile (CID 94282086) is 2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile is COc1cccc(-c2nc(Cl)c(C#N)c(C)c2C)c1.
What is the InChIKey of 2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile?
The InChIKey is XYGQDWWVNSYFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-9-10(2)14(18-15(16)13(9)8-17)11-5-4-6-12(7-11)19-3/h4-7H,1-3H3.
What are the key properties of 2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile?
2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 94282086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).