2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid

C10H8BrN3O2 — CID 86268883

IUPAC2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1Br
InChIInChI=1S/C10H8BrN3O2/c1-14-5-13-8(9(14)11)7-4-6(10(15)16)2-3-12-7/h2-5H,1H3,(H,15,16)
InChIKeyVCGWROPGXPEYJD-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.94
Rot. Bonds2

About 2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid

2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 86268883) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid
PubChem CID86268883
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1Br
InChIInChI=1S/C10H8BrN3O2/c1-14-5-13-8(9(14)11)7-4-6(10(15)16)2-3-12-7/h2-5H,1H3,(H,15,16)
InChIKeyVCGWROPGXPEYJD-UHFFFAOYSA-N
XLogP1.94
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-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 2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid (CID 86268883) is 2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid is Cn1cnc(-c2cc(C(=O)O)ccn2)c1Br.
What is the InChIKey of 2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is VCGWROPGXPEYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-14-5-13-8(9(14)11)7-4-6(10(15)16)2-3-12-7/h2-5H,1H3,(H,15,16).
What are the key properties of 2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid?
2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 282.10 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylimidazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 86268883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).