(5-bromo-3-pyridinyl)-imidazol-1-ylmethanone

C9H6BrN3O — CID 110465025

IUPAC(5-bromo-3-pyridinyl)-imidazol-1-ylmethanone
SMILESO=C(c1cncc(Br)c1)n1ccnc1
InChIInChI=1S/C9H6BrN3O/c10-8-3-7(4-12-5-8)9(14)13-2-1-11-6-13/h1-6H
InChIKeyPGUAWVYSMRNAGK-UHFFFAOYSA-N
MW252.07 g/mol
LogP1.73
Rot. Bonds1

About (5-bromo-3-pyridinyl)-imidazol-1-ylmethanone

(5-bromo-3-pyridinyl)-imidazol-1-ylmethanone (PubChem CID 110465025) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-imidazol-1-ylmethanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-imidazol-1-ylmethanone
PubChem CID110465025
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC Name(5-bromo-3-pyridinyl)-imidazol-1-ylmethanone
SMILESO=C(c1cncc(Br)c1)n1ccnc1
InChIInChI=1S/C9H6BrN3O/c10-8-3-7(4-12-5-8)9(14)13-2-1-11-6-13/h1-6H
InChIKeyPGUAWVYSMRNAGK-UHFFFAOYSA-N
XLogP1.73
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromo-3-pyridinyl)-imidazol-1-ylmethanone 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 (5-bromo-3-pyridinyl)-imidazol-1-ylmethanone?
The IUPAC name of (5-bromo-3-pyridinyl)-imidazol-1-ylmethanone (CID 110465025) is (5-bromo-3-pyridinyl)-imidazol-1-ylmethanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-imidazol-1-ylmethanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-imidazol-1-ylmethanone is O=C(c1cncc(Br)c1)n1ccnc1.
What is the InChIKey of (5-bromo-3-pyridinyl)-imidazol-1-ylmethanone?
The InChIKey is PGUAWVYSMRNAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c10-8-3-7(4-12-5-8)9(14)13-2-1-11-6-13/h1-6H.
What are the key properties of (5-bromo-3-pyridinyl)-imidazol-1-ylmethanone?
(5-bromo-3-pyridinyl)-imidazol-1-ylmethanone has a molecular weight of 252.07 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-imidazol-1-ylmethanone is sourced from PubChem (CID 110465025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).