3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

C10H6BrFN2O3 — CID 136966405

IUPAC3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c(O)ccc(Br)c2F)n[nH]1
InChIInChI=1S/C10H6BrFN2O3/c11-4-1-2-7(15)8(9(4)12)5-3-6(10(16)17)14-13-5/h1-3,15H,(H,13,14)(H,16,17)
InChIKeyFDFQIDGRMKDTIX-UHFFFAOYSA-N
MW301.07 g/mol
LogP2.38
Rot. Bonds2

About 3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid

3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 136966405) has the molecular formula C10H6BrFN2O3 and a molecular weight of 301.07 g/mol. Its IUPAC name is 3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID136966405
Molecular FormulaC10H6BrFN2O3
Molecular Weight301.07 g/mol
Exact Mass299.95
IUPAC Name3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c(O)ccc(Br)c2F)n[nH]1
InChIInChI=1S/C10H6BrFN2O3/c11-4-1-2-7(15)8(9(4)12)5-3-6(10(16)17)14-13-5/h1-3,15H,(H,13,14)(H,16,17)
InChIKeyFDFQIDGRMKDTIX-UHFFFAOYSA-N
XLogP2.38
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.07
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-bromo-2-fluoro-3,4-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136995060
3-(3,6-dichloro-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117439401
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136932431
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117400123
3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592596
3-(2-fluoro-3,6-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419215
3-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117443210
3-(6-fluoro-7-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazole-5-carboxylic acid
CID 117449628
3-(4-fluoro-2-hydroxy-6-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136942196
3-(2,6-difluoro-3-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419269
3-(3-bromo-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117495839
3-(3-bromo-2-hydroxy-5,6-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 136928659

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid (CID 136966405) is 3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2c(O)ccc(Br)c2F)n[nH]1.
What is the InChIKey of 3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is FDFQIDGRMKDTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O3/c11-4-1-2-7(15)8(9(4)12)5-3-6(10(16)17)14-13-5/h1-3,15H,(H,13,14)(H,16,17).
What are the key properties of 3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid?
3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 301.07 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluoro-6-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 136966405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).