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

C7H4BrF2NO3 — CID 118800364

IUPAC4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF2NO3/c8-2-1-3(12)11-5(7(13)14)4(2)6(9)10/h1,6H,(H,11,12)(H,13,14)
InChIKeyHDUJSICOHRPYLM-UHFFFAOYSA-N
MW268.01 g/mol
LogP1.77
Rot. Bonds2

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

4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 118800364) has the molecular formula C7H4BrF2NO3 and a molecular weight of 268.01 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID118800364
Molecular FormulaC7H4BrF2NO3
Molecular Weight268.01 g/mol
Exact Mass266.93
IUPAC Name4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)cc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF2NO3/c8-2-1-3(12)11-5(7(13)14)4(2)6(9)10/h1,6H,(H,11,12)(H,13,14)
InChIKeyHDUJSICOHRPYLM-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (CID 118800364) is 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]c(=O)cc(Br)c1C(F)F.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is HDUJSICOHRPYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO3/c8-2-1-3(12)11-5(7(13)14)4(2)6(9)10/h1,6H,(H,11,12)(H,13,14).
What are the key properties of 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-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 4-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 118800364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).