2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile

C8H5BrF2N2O — CID 118799826

IUPAC2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c9-4-3-6(14)13-5(1-2-12)7(4)8(10)11/h3,8H,1H2,(H,13,14)
InChIKeyQKUUONGSVIZPOU-UHFFFAOYSA-N
MW263.04 g/mol
LogP2.14
Rot. Bonds2

About 2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile

2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile (PubChem CID 118799826) has the molecular formula C8H5BrF2N2O and a molecular weight of 263.04 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
PubChem CID118799826
Molecular FormulaC8H5BrF2N2O
Molecular Weight263.04 g/mol
Exact Mass261.96
IUPAC Name2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C8H5BrF2N2O/c9-4-3-6(14)13-5(1-2-12)7(4)8(10)11/h3,8H,1H2,(H,13,14)
InChIKeyQKUUONGSVIZPOU-UHFFFAOYSA-N
XLogP2.14
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.04
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 737752
5-(2-bromo-1,1-difluoroethyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 21690578
2-Methyl-6-oxo-5-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile
CID 146583678
5-Bromo-6-cyclopropyl-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 30772099
5-Bromo-2-hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile
CID 30772179
6-methyl-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 71628563
4-Cyano-2-(difluoromethyl)-6-hydroxy-3-methylpyridine
CID 118799361
4-Bromo-2-(difluoromethyl)-6-hydroxypyridine-3-carboxamide
CID 118799475
4-Bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-ol
CID 118806377
2-(Bromomethyl)-4-cyano-3-(difluoromethyl)-6-hydroxypyridine
CID 118810079
4-(Aminomethyl)-5-bromo-6-(difluoromethyl)pyridin-2-ol
CID 118812865
2-(Bromomethyl)-5-cyano-3-(difluoromethyl)-6-hydroxypyridine
CID 118815822

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile (CID 118799826) is 2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile is N#CCc1[nH]c(=O)cc(Br)c1C(F)F.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The InChIKey is QKUUONGSVIZPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2O/c9-4-3-6(14)13-5(1-2-12)7(4)8(10)11/h3,8H,1H2,(H,13,14).
What are the key properties of 2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile has a molecular weight of 263.04 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 118799826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).