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

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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).