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

C7H3BrF2N2O — CID 118834494

IUPAC4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C7H3BrF2N2O/c8-3-1-5(13)12-4(2-11)6(3)7(9)10/h1,7H,(H,12,13)
InChIKeyNOWRJJRCKQQFGP-UHFFFAOYSA-N
MW249.01 g/mol
LogP1.95
Rot. Bonds1

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

4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 118834494) has the molecular formula C7H3BrF2N2O and a molecular weight of 249.01 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID118834494
Molecular FormulaC7H3BrF2N2O
Molecular Weight249.01 g/mol
Exact Mass247.94
IUPAC Name4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C7H3BrF2N2O/c8-3-1-5(13)12-4(2-11)6(3)7(9)10/h1,7H,(H,12,13)
InChIKeyNOWRJJRCKQQFGP-UHFFFAOYSA-N
XLogP1.95
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.01
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130110266
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 118828957
6-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130076614
3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130100027
2-[2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
CID 118993938
6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonamide
CID 119002683
3-bromo-6-oxo-1H-pyridine-2-carbonitrile
CID 66875102
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119016026
2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119010938
3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130076467
5-amino-4-bromo-6-(difluoromethyl)-1H-pyridin-2-one
CID 130101695
ethyl 2-cyano-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 134673857

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile (CID 118834494) is 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)cc(Br)c1C(F)F.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is NOWRJJRCKQQFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2O/c8-3-1-5(13)12-4(2-11)6(3)7(9)10/h1,7H,(H,12,13).
What are the key properties of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 249.01 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 118834494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).