2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid

C10H6BrClN2O2 — CID 107282391

IUPAC2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cc(Cl)cn2)cc1Br
InChIInChI=1S/C10H6BrClN2O2/c11-9-3-7(1-2-8(9)10(15)16)14-5-6(12)4-13-14/h1-5H,(H,15,16)
InChIKeyHUUVXNVBWDJBSP-UHFFFAOYSA-N
MW301.53 g/mol
LogP2.99
Rot. Bonds2

About 2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid

2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid (PubChem CID 107282391) has the molecular formula C10H6BrClN2O2 and a molecular weight of 301.53 g/mol. Its IUPAC name is 2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid
PubChem CID107282391
Molecular FormulaC10H6BrClN2O2
Molecular Weight301.53 g/mol
Exact Mass299.93
IUPAC Name2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2cc(Cl)cn2)cc1Br
InChIInChI=1S/C10H6BrClN2O2/c11-9-3-7(1-2-8(9)10(15)16)14-5-6(12)4-13-14/h1-5H,(H,15,16)
InChIKeyHUUVXNVBWDJBSP-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloropyrazol-1-yl)benzoic acid
CID 63942478
3-bromo-5-(4-chloropyrazol-1-yl)benzoic acid
CID 102823510
5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid
CID 84688788
1-(3-bromo-4-fluorophenyl)pyrazole-4-carboxylic acid
CID 130121228
4-(4-aminopyrazol-1-yl)-2-bromobenzamide
CID 107281218
2-amino-5-(4-bromopyrazol-1-yl)benzoic acid
CID 61035552
1-[4-bromo-2-(4-chloropyrazol-1-yl)phenyl]ethanone
CID 82966831
4-chloro-1-(3,5-dichlorophenyl)pyrazole
CID 117063020
1-[3-(4-chloropyrazol-1-yl)phenyl]ethanone
CID 79168154
1-(4-bromo-3-methylphenyl)pyrazole-4-carboxylic acid
CID 82489333
1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
CID 35521242
1-(4-bromo-3-fluorophenyl)pyrazole-4-carboxylic acid
CID 130121157

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid?
The IUPAC name of 2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid (CID 107282391) is 2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid.
What is the SMILES notation for 2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid?
The canonical SMILES for 2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid is O=C(O)c1ccc(-n2cc(Cl)cn2)cc1Br.
What is the InChIKey of 2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid?
The InChIKey is HUUVXNVBWDJBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O2/c11-9-3-7(1-2-8(9)10(15)16)14-5-6(12)4-13-14/h1-5H,(H,15,16).
What are the key properties of 2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid?
2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid has a molecular weight of 301.53 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid is sourced from PubChem (CID 107282391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).