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

C7H4BrF2NO3 — CID 119022040

IUPAC2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(Br)c1C(F)F
InChIInChI=1S/C7H4BrF2NO3/c8-5-4(6(9)10)2(7(13)14)1-3(12)11-5/h1,6H,(H,11,12)(H,13,14)
InChIKeyQVSJIMUGEQLQES-UHFFFAOYSA-N
MW268.01 g/mol
LogP1.77
Rot. Bonds2

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

2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 119022040) has the molecular formula C7H4BrF2NO3 and a molecular weight of 268.01 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID119022040
Molecular FormulaC7H4BrF2NO3
Molecular Weight268.01 g/mol
Exact Mass266.93
IUPAC Name2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(Br)c1C(F)F
InChIInChI=1S/C7H4BrF2NO3/c8-5-4(6(9)10)2(7(13)14)1-3(12)11-5/h1,6H,(H,11,12)(H,13,14)
InChIKeyQVSJIMUGEQLQES-UHFFFAOYSA-N
XLogP1.77
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.01
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 134671753
6-bromo-5-(difluoromethyl)-4-nitro-1H-pyridin-2-one
CID 119017611
2-bromo-6-oxo-1H-pyridine-3-carboxylic acid
CID 119010180
4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 118821921
2-[2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
CID 118993938
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
6-bromo-3-(difluoromethyl)-2-fluoropyridine-4-carboxylic acid
CID 130109726
6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130102115
2-bromo-3-(difluoromethyl)-6-fluoro-1H-pyridin-4-one
CID 130109271
methyl 3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 130100284
4-(chloromethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130085259
2-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 118820480

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid (CID 119022040) is 2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(Br)c1C(F)F.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is QVSJIMUGEQLQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO3/c8-5-4(6(9)10)2(7(13)14)1-3(12)11-5/h1,6H,(H,11,12)(H,13,14).
What are the key properties of 2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid?
2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 268.01 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 119022040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).