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

C7H3BrF2N2O — CID 130108608

IUPAC3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(C(F)F)[nH]c(=O)c1Br
InChIInChI=1S/C7H3BrF2N2O/c8-5-3(2-11)1-4(6(9)10)12-7(5)13/h1,6H,(H,12,13)
InChIKeyQZSIYKKFLZIVHR-UHFFFAOYSA-N
MW249.01 g/mol
LogP1.95
Rot. Bonds1

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

3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile (PubChem CID 130108608) has the molecular formula C7H3BrF2N2O and a molecular weight of 249.01 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
PubChem CID130108608
Molecular FormulaC7H3BrF2N2O
Molecular Weight249.01 g/mol
Exact Mass247.94
IUPAC Name3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(C(F)F)[nH]c(=O)c1Br
InChIInChI=1S/C7H3BrF2N2O/c8-5-3(2-11)1-4(6(9)10)12-7(5)13/h1,6H,(H,12,13)
InChIKeyQZSIYKKFLZIVHR-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 3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile (CID 130108608) is 3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile is N#Cc1cc(C(F)F)[nH]c(=O)c1Br.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is QZSIYKKFLZIVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N2O/c8-5-3(2-11)1-4(6(9)10)12-7(5)13/h1,6H,(H,12,13).
What are the key properties of 3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile?
3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-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 3-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 130108608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).