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

C7H5BrF2N2O2 — CID 118799475

IUPAC4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(Br)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H5BrF2N2O2/c8-2-1-3(13)12-5(6(9)10)4(2)7(11)14/h1,6H,(H2,11,14)(H,12,13)
InChIKeyXODSPJJARFGTAR-UHFFFAOYSA-N
MW267.03 g/mol
LogP1.17
Rot. Bonds2

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

4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 118799475) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID118799475
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(Br)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H5BrF2N2O2/c8-2-1-3(13)12-5(6(9)10)4(2)7(11)14/h1,6H,(H2,11,14)(H,12,13)
InChIKeyXODSPJJARFGTAR-UHFFFAOYSA-N
XLogP1.17
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Hydroxy-2-(trifluoromethyl)nicotinamide
CID 130953535
2-methyl-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 145360219
3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 169248960
2-(Difluoromethyl)-6-hydroxypyridine-3-carboxamide
CID 99991597
3-Bromomethyl-6-hydroxy-2-(trifluoromethyl)pyridine
CID 118704142
4-Bromomethyl-2-hydroxy-6-(trifluoromethyl)pyridine
CID 118704145
2-(4-Bromo-3-(difluoromethyl)-6-hydroxypyridin-2-yl)acetonitrile
CID 118799826
2-(Aminomethyl)-4-bromo-3-(difluoromethyl)-6-hydroxypyridine
CID 118803148
4-Bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-ol
CID 118806377
4-(Aminomethyl)-5-bromo-6-(difluoromethyl)pyridin-2-ol
CID 118812865
4-Bromo-3-cyano-2-(difluoromethyl)-6-hydroxypyridine
CID 118816047
2-(Difluoromethyl)-5-fluoro-6-hydroxypyridine-3-carboxamide
CID 118820682

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 118799475) is 4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c(Br)cc(=O)[nH]c1C(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XODSPJJARFGTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c8-2-1-3(13)12-5(6(9)10)4(2)7(11)14/h1,6H,(H2,11,14)(H,12,13).
What are the key properties of 4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 267.03 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 118799475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).