2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile

C11H9ClN4 — CID 61176297

IUPAC2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(-n2cc(Cl)cn2)n1
InChIInChI=1S/C11H9ClN4/c1-7-3-8(2)15-11(10(7)4-13)16-6-9(12)5-14-16/h3,5-6H,1-2H3
InChIKeySFVKSAAIGPGKFM-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.41
Rot. Bonds1

About 2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile

2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 61176297) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID61176297
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(-n2cc(Cl)cn2)n1
InChIInChI=1S/C11H9ClN4/c1-7-3-8(2)15-11(10(7)4-13)16-6-9(12)5-14-16/h3,5-6H,1-2H3
InChIKeySFVKSAAIGPGKFM-UHFFFAOYSA-N
XLogP2.41
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
6-(4-chloropyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80856995
4,6-dimethyl-2-(2-methylimidazol-1-yl)pyridine-3-carbonitrile
CID 3838524
bis(3-cyano-4,6-dimethylpyridine-2-thiolate);dichlorotin(2+)
CID 15978262
4-(4-chloropyrazol-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 80857762
4-(chloromethyl)-2-(4-chloropyrazol-1-yl)-6-methylpyrimidine
CID 130485780
2-(4-amino-3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175455
2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658562
2-(2-ethylpyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 61175735
2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 784964
2-(3,5-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60710655
2-[4-(3-aminophenyl)pyrazol-1-yl]-6-methylpyridine-3-carbonitrile
CID 63338638

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile (CID 61176297) is 2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(-n2cc(Cl)cn2)n1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is SFVKSAAIGPGKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c1-7-3-8(2)15-11(10(7)4-13)16-6-9(12)5-14-16/h3,5-6H,1-2H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile?
2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 232.67 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 61176297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).