2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C11H6BrFN2O3 — CID 107923917

IUPAC2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(F)ccc2Br)[nH]c1=O
InChIInChI=1S/C11H6BrFN2O3/c12-8-2-1-5(13)3-6(8)9-14-4-7(11(17)18)10(16)15-9/h1-4H,(H,17,18)(H,14,15,16)
InChIKeyATEHIMNQXMDDGH-UHFFFAOYSA-N
MW313.08 g/mol
LogP2.04
Rot. Bonds2

About 2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 107923917) has the molecular formula C11H6BrFN2O3 and a molecular weight of 313.08 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID107923917
Molecular FormulaC11H6BrFN2O3
Molecular Weight313.08 g/mol
Exact Mass311.95
IUPAC Name2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(F)ccc2Br)[nH]c1=O
InChIInChI=1S/C11H6BrFN2O3/c12-8-2-1-5(13)3-6(8)9-14-4-7(11(17)18)10(16)15-9/h1-4H,(H,17,18)(H,14,15,16)
InChIKeyATEHIMNQXMDDGH-UHFFFAOYSA-N
XLogP2.04
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.08
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62388939
2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938362
6-oxo-2-(2,4,5-trimethylphenyl)-1H-pyrimidine-5-carboxylic acid
CID 116865013
2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107923912
2-(3-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021110
2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 12535840
2-(2-bromo-5-fluorophenyl)-3H-quinazolin-4-one
CID 168550701
2-(2-bromo-5-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 107923913
5-fluoro-2-(5-sulfanyl-1H-imidazol-2-yl)benzoic acid
CID 138570868
2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
CID 107923916
2-(2-bromo-5-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136889822
6-oxo-2-(2-prop-2-enoxyphenyl)-1H-pyrimidine-5-carboxylic acid
CID 12535849

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 107923917) is 2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2cc(F)ccc2Br)[nH]c1=O.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is ATEHIMNQXMDDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O3/c12-8-2-1-5(13)3-6(8)9-14-4-7(11(17)18)10(16)15-9/h1-4H,(H,17,18)(H,14,15,16).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 313.08 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 107923917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).