1-(difluoromethyl)-6-oxopyridine-3-carbonitrile

C7H4F2N2O — CID 86249664

IUPAC1-(difluoromethyl)-6-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C7H4F2N2O/c8-7(9)11-4-5(3-10)1-2-6(11)12/h1-2,4,7H
InChIKeyRYHWDVBYXBRYQV-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.12
Rot. Bonds1

About 1-(difluoromethyl)-6-oxopyridine-3-carbonitrile

1-(difluoromethyl)-6-oxopyridine-3-carbonitrile (PubChem CID 86249664) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 1-(difluoromethyl)-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(difluoromethyl)-6-oxopyridine-3-carbonitrile
PubChem CID86249664
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name1-(difluoromethyl)-6-oxopyridine-3-carbonitrile
SMILESN#Cc1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C7H4F2N2O/c8-7(9)11-4-5(3-10)1-2-6(11)12/h1-2,4,7H
InChIKeyRYHWDVBYXBRYQV-UHFFFAOYSA-N
XLogP1.12
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-6-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(difluoromethyl)-6-oxopyridine-3-carbonitrile (CID 86249664) is 1-(difluoromethyl)-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(difluoromethyl)-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(difluoromethyl)-6-oxopyridine-3-carbonitrile is N#Cc1ccc(=O)n(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-6-oxopyridine-3-carbonitrile?
The InChIKey is RYHWDVBYXBRYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/c8-7(9)11-4-5(3-10)1-2-6(11)12/h1-2,4,7H.
What are the key properties of 1-(difluoromethyl)-6-oxopyridine-3-carbonitrile?
1-(difluoromethyl)-6-oxopyridine-3-carbonitrile has a molecular weight of 170.12 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 86249664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).