3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile

C7H4F2N2O — CID 119017841

IUPAC3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]ccc(=O)c1C(F)F
InChIInChI=1S/C7H4F2N2O/c8-7(9)6-4(3-10)11-2-1-5(6)12/h1-2,7H,(H,11,12)
InChIKeyNTYWEMLCPVRYCV-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.18
Rot. Bonds1

About 3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile

3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 119017841) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID119017841
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]ccc(=O)c1C(F)F
InChIInChI=1S/C7H4F2N2O/c8-7(9)6-4(3-10)11-2-1-5(6)12/h1-2,7H,(H,11,12)
InChIKeyNTYWEMLCPVRYCV-UHFFFAOYSA-N
XLogP1.18
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076614
2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130097132
5-(chloromethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076689
6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonamide
CID 119002683
methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093223
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 118834494
methyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-3-yl]acetate
CID 134675730
2-amino-4-oxo-1H-pyridine-3-carbonitrile
CID 22020907
5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 118822034
ethyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 134685670
6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076488
4-(difluoromethyl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 130076538

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile (CID 119017841) is 3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]ccc(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is NTYWEMLCPVRYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/c8-7(9)6-4(3-10)11-2-1-5(6)12/h1-2,7H,(H,11,12).
What are the key properties of 3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile?
3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 170.12 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 119017841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).