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

C7H3ClF2N2O — CID 119010938

IUPAC2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(Cl)c1C(F)F
InChIInChI=1S/C7H3ClF2N2O/c8-6-5(7(9)10)3(2-11)1-4(13)12-6/h1,7H,(H,12,13)
InChIKeyZWRDEURRYVEKAW-UHFFFAOYSA-N
MW204.56 g/mol
LogP1.84
Rot. Bonds1

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

2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile (PubChem CID 119010938) has the molecular formula C7H3ClF2N2O and a molecular weight of 204.56 g/mol. Its IUPAC name is 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
PubChem CID119010938
Molecular FormulaC7H3ClF2N2O
Molecular Weight204.56 g/mol
Exact Mass203.99
IUPAC Name2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(Cl)c1C(F)F
InChIInChI=1S/C7H3ClF2N2O/c8-6-5(7(9)10)3(2-11)1-4(13)12-6/h1,7H,(H,12,13)
InChIKeyZWRDEURRYVEKAW-UHFFFAOYSA-N
XLogP1.84
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.56
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119016026
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
4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118811331
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 118834494
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130070948
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile
CID 118998041
6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile
CID 130076426
6-chloro-2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130071179

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile (CID 119010938) is 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile is N#Cc1cc(=O)[nH]c(Cl)c1C(F)F.
What is the InChIKey of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is ZWRDEURRYVEKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O/c8-6-5(7(9)10)3(2-11)1-4(13)12-6/h1,7H,(H,12,13).
What are the key properties of 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile?
2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile has a molecular weight of 204.56 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 119010938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).