5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid

C12H14BrN3O2 — CID 94758220

IUPAC5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
SMILESCc1nc2cc(Br)cnc2n1CCCCC(=O)O
InChIInChI=1S/C12H14BrN3O2/c1-8-15-10-6-9(13)7-14-12(10)16(8)5-3-2-4-11(17)18/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyVCFRKGTZWXKEPN-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.76
Rot. Bonds5

About 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid

5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid (PubChem CID 94758220) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
PubChem CID94758220
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
SMILESCc1nc2cc(Br)cnc2n1CCCCC(=O)O
InChIInChI=1S/C12H14BrN3O2/c1-8-15-10-6-9(13)7-14-12(10)16(8)5-3-2-4-11(17)18/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyVCFRKGTZWXKEPN-UHFFFAOYSA-N
XLogP2.76
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic 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 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid?
The IUPAC name of 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid (CID 94758220) is 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid.
What is the SMILES notation for 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid?
The canonical SMILES for 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid is Cc1nc2cc(Br)cnc2n1CCCCC(=O)O.
What is the InChIKey of 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid?
The InChIKey is VCFRKGTZWXKEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-8-15-10-6-9(13)7-14-12(10)16(8)5-3-2-4-11(17)18/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid?
5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid has a molecular weight of 312.17 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid is sourced from PubChem (CID 94758220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).