6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine

C9H8BrN3 — CID 162381410

IUPAC6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine
SMILESBrc1cc2nc(C3CC3)[nH]c2cn1
InChIInChI=1S/C9H8BrN3/c10-8-3-6-7(4-11-8)13-9(12-6)5-1-2-5/h3-5H,1-2H2,(H,12,13)
InChIKeyCXFDOIDXUHAEHR-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.60
Rot. Bonds1

About 6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine

6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine (PubChem CID 162381410) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine
PubChem CID162381410
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine
SMILESBrc1cc2nc(C3CC3)[nH]c2cn1
InChIInChI=1S/C9H8BrN3/c10-8-3-6-7(4-11-8)13-9(12-6)5-1-2-5/h3-5H,1-2H2,(H,12,13)
InChIKeyCXFDOIDXUHAEHR-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine (CID 162381410) is 6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine is Brc1cc2nc(C3CC3)[nH]c2cn1.
What is the InChIKey of 6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine?
The InChIKey is CXFDOIDXUHAEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c10-8-3-6-7(4-11-8)13-9(12-6)5-1-2-5/h3-5H,1-2H2,(H,12,13).
What are the key properties of 6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine?
6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine has a molecular weight of 238.09 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 162381410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).