2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile

C7H5F2N3O — CID 119016026

IUPAC2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(N)c1C(F)F
InChIInChI=1S/C7H5F2N3O/c8-6(9)5-3(2-10)1-4(13)12-7(5)11/h1,6H,(H3,11,12,13)
InChIKeyJMUSTKLVEBVTIQ-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.77
Rot. Bonds1

About 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile

2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile (PubChem CID 119016026) has the molecular formula C7H5F2N3O and a molecular weight of 185.13 g/mol. Its IUPAC name is 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
PubChem CID119016026
Molecular FormulaC7H5F2N3O
Molecular Weight185.13 g/mol
Exact Mass185.04
IUPAC Name2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(N)c1C(F)F
InChIInChI=1S/C7H5F2N3O/c8-6(9)5-3(2-10)1-4(13)12-7(5)11/h1,6H,(H3,11,12,13)
InChIKeyJMUSTKLVEBVTIQ-UHFFFAOYSA-N
XLogP0.77
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119010938
3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130100027
3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130076467
3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 130103220
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
CID 130076512
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118811331
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride
CID 130105040
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 118834494
methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134685667
6-amino-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carbaldehyde
CID 118992620

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile (CID 119016026) is 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile is N#Cc1cc(=O)[nH]c(N)c1C(F)F.
What is the InChIKey of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is JMUSTKLVEBVTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O/c8-6(9)5-3(2-10)1-4(13)12-7(5)11/h1,6H,(H3,11,12,13).
What are the key properties of 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 185.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 119016026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).