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

C7H3BrF2N2O — CID 130108618

IUPAC5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)c(Br)cc1C(F)F
InChIInChI=1S/C7H3BrF2N2O/c8-4-1-3(6(9)10)5(2-11)12-7(4)13/h1,6H,(H,12,13)
InChIKeyINUYZKVGADVGLM-UHFFFAOYSA-N
MW249.01 g/mol
LogP1.95
Rot. Bonds1

About 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile

5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 130108618) has the molecular formula C7H3BrF2N2O and a molecular weight of 249.01 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID130108618
Molecular FormulaC7H3BrF2N2O
Molecular Weight249.01 g/mol
Exact Mass247.94
IUPAC Name5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)c(Br)cc1C(F)F
InChIInChI=1S/C7H3BrF2N2O/c8-4-1-3(6(9)10)5(2-11)12-7(4)13/h1,6H,(H,12,13)
InChIKeyINUYZKVGADVGLM-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile (CID 130108618) is 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)c(Br)cc1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is INUYZKVGADVGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2O/c8-4-1-3(6(9)10)5(2-11)12-7(4)13/h1,6H,(H,12,13).
What are the key properties of 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
5-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 5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130108618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).