2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile

C8H5F3N2O — CID 23049007

IUPAC2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile
SMILESN#CCn1ccc(C(F)F)c(F)c1=O
InChIInChI=1S/C8H5F3N2O/c9-6-5(7(10)11)1-3-13(4-2-12)8(6)14/h1,3,7H,4H2
InChIKeyPKOVKYOQIPNPHS-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.45
Rot. Bonds2

About 2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile

2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile (PubChem CID 23049007) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile
PubChem CID23049007
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile
SMILESN#CCn1ccc(C(F)F)c(F)c1=O
InChIInChI=1S/C8H5F3N2O/c9-6-5(7(10)11)1-3-13(4-2-12)8(6)14/h1,3,7H,4H2
InChIKeyPKOVKYOQIPNPHS-UHFFFAOYSA-N
XLogP1.45
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile (CID 23049007) is 2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile is N#CCn1ccc(C(F)F)c(F)c1=O.
What is the InChIKey of 2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile?
The InChIKey is PKOVKYOQIPNPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-6-5(7(10)11)1-3-13(4-2-12)8(6)14/h1,3,7H,4H2.
What are the key properties of 2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile?
2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile has a molecular weight of 202.13 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-fluoro-2-oxo-1-pyridinyl]acetonitrile is sourced from PubChem (CID 23049007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).