3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid

C9H4BrClFN3O2 — CID 118496627

IUPAC3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(Br)nn1-c1ncc(Cl)cc1F
InChIInChI=1S/C9H4BrClFN3O2/c10-7-2-6(9(16)17)15(14-7)8-5(12)1-4(11)3-13-8/h1-3H,(H,16,17)
InChIKeyLWDYLSZLMJIASN-UHFFFAOYSA-N
MW320.51 g/mol
LogP2.52
Rot. Bonds2

About 3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid

3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid (PubChem CID 118496627) has the molecular formula C9H4BrClFN3O2 and a molecular weight of 320.51 g/mol. Its IUPAC name is 3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid
PubChem CID118496627
Molecular FormulaC9H4BrClFN3O2
Molecular Weight320.51 g/mol
Exact Mass318.92
IUPAC Name3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(Br)nn1-c1ncc(Cl)cc1F
InChIInChI=1S/C9H4BrClFN3O2/c10-7-2-6(9(16)17)15(14-7)8-5(12)1-4(11)3-13-8/h1-3H,(H,16,17)
InChIKeyLWDYLSZLMJIASN-UHFFFAOYSA-N
XLogP2.52
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid (CID 118496627) is 3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(Br)nn1-c1ncc(Cl)cc1F.
What is the InChIKey of 3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid?
The InChIKey is LWDYLSZLMJIASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClFN3O2/c10-7-2-6(9(16)17)15(14-7)8-5(12)1-4(11)3-13-8/h1-3H,(H,16,17).
What are the key properties of 3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid?
3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid has a molecular weight of 320.51 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(5-chloro-3-fluoro-2-pyridinyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 118496627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).