1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid

C10H6BrFN2O3 — CID 43555963

IUPAC1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cc(Br)ccc2F)cc1O
InChIInChI=1S/C10H6BrFN2O3/c11-5-1-2-6(12)7(3-5)14-4-8(15)9(13-14)10(16)17/h1-4,15H,(H,16,17)
InChIKeyARRRVOXEBHBLNN-UHFFFAOYSA-N
MW301.07 g/mol
LogP2.18
Rot. Bonds2

About 1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid

1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid (PubChem CID 43555963) has the molecular formula C10H6BrFN2O3 and a molecular weight of 301.07 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
PubChem CID43555963
Molecular FormulaC10H6BrFN2O3
Molecular Weight301.07 g/mol
Exact Mass299.95
IUPAC Name1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cc(Br)ccc2F)cc1O
InChIInChI=1S/C10H6BrFN2O3/c11-5-1-2-6(12)7(3-5)14-4-8(15)9(13-14)10(16)17/h1-4,15H,(H,16,17)
InChIKeyARRRVOXEBHBLNN-UHFFFAOYSA-N
XLogP2.18
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133814
1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133856
1-(5-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43556030
1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 114840299
1-(5-chloro-2-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43381233
4-hydroxy-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
CID 66477568
1-(5-bromo-2-fluorophenyl)-5-tert-butyltriazole-4-carboxylic acid
CID 43555831
1-(4-bromo-2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43363464
1-(5-bromo-4-fluoro-2-methylphenyl)-4-methylpyrazole-3-carboxylic acid
CID 107592971
1-(2-chloro-4-nitrophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43381235
3-(5-bromo-2-fluorophenyl)benzimidazole-5-carboxylic acid
CID 82790695
1-(4-bromo-2-chlorophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 63953833

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid (CID 43555963) is 1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid is O=C(O)c1nn(-c2cc(Br)ccc2F)cc1O.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid?
The InChIKey is ARRRVOXEBHBLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O3/c11-5-1-2-6(12)7(3-5)14-4-8(15)9(13-14)10(16)17/h1-4,15H,(H,16,17).
What are the key properties of 1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid?
1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid has a molecular weight of 301.07 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-4-hydroxypyrazole-3-carboxylic acid is sourced from PubChem (CID 43555963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).