6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine

C6H3BrClN3 — CID 90456846

IUPAC6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine
SMILESClc1nc(Br)cc2[nH]cnc12
InChIInChI=1S/C6H3BrClN3/c7-4-1-3-5(6(8)11-4)10-2-9-3/h1-2H,(H,9,10)
InChIKeyBKEMPCSUWXUOMM-UHFFFAOYSA-N
MW232.47 g/mol
LogP2.37
Rot. Bonds

About 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine

6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine (PubChem CID 90456846) has the molecular formula C6H3BrClN3 and a molecular weight of 232.47 g/mol. Its IUPAC name is 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine
PubChem CID90456846
Molecular FormulaC6H3BrClN3
Molecular Weight232.47 g/mol
Exact Mass230.92
IUPAC Name6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine
SMILESClc1nc(Br)cc2[nH]cnc12
InChIInChI=1S/C6H3BrClN3/c7-4-1-3-5(6(8)11-4)10-2-9-3/h1-2H,(H,9,10)
InChIKeyBKEMPCSUWXUOMM-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.47
LogP ≤ 52.37
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-4-chloro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine (CID 90456846) is 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine is Clc1nc(Br)cc2[nH]cnc12.
What is the InChIKey of 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine?
The InChIKey is BKEMPCSUWXUOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN3/c7-4-1-3-5(6(8)11-4)10-2-9-3/h1-2H,(H,9,10).
What are the key properties of 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine?
6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine has a molecular weight of 232.47 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 90456846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).