2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile

C8H6F2N2O — CID 118837519

IUPAC2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1cc(=O)cc(C(F)F)[nH]1
InChIInChI=1S/C8H6F2N2O/c9-8(10)7-4-6(13)3-5(12-7)1-2-11/h3-4,8H,1H2,(H,12,13)
InChIKeyMSXDBTWTXPFSLQ-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.38
Rot. Bonds2

About 2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile

2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile (PubChem CID 118837519) has the molecular formula C8H6F2N2O and a molecular weight of 184.14 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile
PubChem CID118837519
Molecular FormulaC8H6F2N2O
Molecular Weight184.14 g/mol
Exact Mass184.04
IUPAC Name2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1cc(=O)cc(C(F)F)[nH]1
InChIInChI=1S/C8H6F2N2O/c9-8(10)7-4-6(13)3-5(12-7)1-2-11/h3-4,8H,1H2,(H,12,13)
InChIKeyMSXDBTWTXPFSLQ-UHFFFAOYSA-N
XLogP1.38
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile (CID 118837519) is 2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile is N#CCc1cc(=O)cc(C(F)F)[nH]1.
What is the InChIKey of 2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile?
The InChIKey is MSXDBTWTXPFSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-8(10)7-4-6(13)3-5(12-7)1-2-11/h3-4,8H,1H2,(H,12,13).
What are the key properties of 2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile?
2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile has a molecular weight of 184.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 118837519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).