6-(3,4-difluorophenyl)pyridine-3-carbonitrile

C12H6F2N2 — CID 82113723

IUPAC6-(3,4-difluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C12H6F2N2/c13-10-3-2-9(5-11(10)14)12-4-1-8(6-15)7-16-12/h1-5,7H
InChIKeyLVEKODVZWXQSRH-UHFFFAOYSA-N
MW216.19 g/mol
LogP2.90
Rot. Bonds1

About 6-(3,4-difluorophenyl)pyridine-3-carbonitrile

6-(3,4-difluorophenyl)pyridine-3-carbonitrile (PubChem CID 82113723) has the molecular formula C12H6F2N2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)pyridine-3-carbonitrile
PubChem CID82113723
Molecular FormulaC12H6F2N2
Molecular Weight216.19 g/mol
Exact Mass216.05
IUPAC Name6-(3,4-difluorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C12H6F2N2/c13-10-3-2-9(5-11(10)14)12-4-1-8(6-15)7-16-12/h1-5,7H
InChIKeyLVEKODVZWXQSRH-UHFFFAOYSA-N
XLogP2.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3,4-difluorophenyl)pyridine-3-carbonitrile (CID 82113723) is 6-(3,4-difluorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,4-difluorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,4-difluorophenyl)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(F)c(F)c2)nc1.
What is the InChIKey of 6-(3,4-difluorophenyl)pyridine-3-carbonitrile?
The InChIKey is LVEKODVZWXQSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2/c13-10-3-2-9(5-11(10)14)12-4-1-8(6-15)7-16-12/h1-5,7H.
What are the key properties of 6-(3,4-difluorophenyl)pyridine-3-carbonitrile?
6-(3,4-difluorophenyl)pyridine-3-carbonitrile has a molecular weight of 216.19 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82113723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).