2-(difluoromethyl)pyridine-4-carbonitrile

C7H4F2N2 — CID 75406284

IUPAC2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C(F)F)c1
InChIInChI=1S/C7H4F2N2/c8-7(9)6-3-5(4-10)1-2-11-6/h1-3,7H
InChIKeyMHIVNBZOWUQBSC-UHFFFAOYSA-N
MW154.12 g/mol
LogP1.89
Rot. Bonds1

About 2-(difluoromethyl)pyridine-4-carbonitrile

2-(difluoromethyl)pyridine-4-carbonitrile (PubChem CID 75406284) has the molecular formula C7H4F2N2 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-(difluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)pyridine-4-carbonitrile
PubChem CID75406284
Molecular FormulaC7H4F2N2
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C(F)F)c1
InChIInChI=1S/C7H4F2N2/c8-7(9)6-3-5(4-10)1-2-11-6/h1-3,7H
InChIKeyMHIVNBZOWUQBSC-UHFFFAOYSA-N
XLogP1.89
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(difluoromethyl)pyridine-4-carbonitrile (CID 75406284) is 2-(difluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)pyridine-4-carbonitrile is N#Cc1ccnc(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)pyridine-4-carbonitrile?
The InChIKey is MHIVNBZOWUQBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2/c8-7(9)6-3-5(4-10)1-2-11-6/h1-3,7H.
What are the key properties of 2-(difluoromethyl)pyridine-4-carbonitrile?
2-(difluoromethyl)pyridine-4-carbonitrile has a molecular weight of 154.12 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 75406284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).