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

C9H5BrClN3O2 — CID 11587535

IUPAC3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)
InChIKeyFORBXGROTPOMEH-UHFFFAOYSA-N
MW302.52 g/mol
LogP2.38
Rot. Bonds2

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

3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid (PubChem CID 11587535) has the molecular formula C9H5BrClN3O2 and a molecular weight of 302.52 g/mol. Its IUPAC name is 3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
PubChem CID11587535
Molecular FormulaC9H5BrClN3O2
Molecular Weight302.52 g/mol
Exact Mass300.93
IUPAC Name3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(Br)nn1-c1ncccc1Cl
InChIInChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16)
InChIKeyFORBXGROTPOMEH-UHFFFAOYSA-N
XLogP2.38
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.52
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-1-(3-chloro-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-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid (CID 11587535) is 3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(Br)nn1-c1ncccc1Cl.
What is the InChIKey of 3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
The InChIKey is FORBXGROTPOMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3O2/c10-7-4-6(9(15)16)14(13-7)8-5(11)2-1-3-12-8/h1-4H,(H,15,16).
What are the key properties of 3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid has a molecular weight of 302.52 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 11587535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).