3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile

C13H8ClFN2 — CID 162731731

IUPAC3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile
SMILESCc1c(-c2cccc(F)c2)cnc(C#N)c1Cl
InChIInChI=1S/C13H8ClFN2/c1-8-11(7-17-12(6-16)13(8)14)9-3-2-4-10(15)5-9/h2-5,7H,1H3
InChIKeyCPJGVADKZIAGCG-UHFFFAOYSA-N
MW246.67 g/mol
LogP3.72
Rot. Bonds1

About 3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile

3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile (PubChem CID 162731731) has the molecular formula C13H8ClFN2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile
PubChem CID162731731
Molecular FormulaC13H8ClFN2
Molecular Weight246.67 g/mol
Exact Mass246.04
IUPAC Name3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile
SMILESCc1c(-c2cccc(F)c2)cnc(C#N)c1Cl
InChIInChI=1S/C13H8ClFN2/c1-8-11(7-17-12(6-16)13(8)14)9-3-2-4-10(15)5-9/h2-5,7H,1H3
InChIKeyCPJGVADKZIAGCG-UHFFFAOYSA-N
XLogP3.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile?
The IUPAC name of 3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile (CID 162731731) is 3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile is Cc1c(-c2cccc(F)c2)cnc(C#N)c1Cl.
What is the InChIKey of 3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile?
The InChIKey is CPJGVADKZIAGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2/c1-8-11(7-17-12(6-16)13(8)14)9-3-2-4-10(15)5-9/h2-5,7H,1H3.
What are the key properties of 3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile?
3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile has a molecular weight of 246.67 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-fluorophenyl)-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 162731731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).