2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine

C12H7BrClN3 — CID 5488372

IUPAC2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine
SMILESClc1nccc2[nH]c(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C12H7BrClN3/c13-8-3-1-7(2-4-8)12-16-9-5-6-15-11(14)10(9)17-12/h1-6H,(H,16,17)
InChIKeyNOFAYXAPSXNFKZ-UHFFFAOYSA-N
MW308.57 g/mol
LogP4.04
Rot. Bonds1

About 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine

2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine (PubChem CID 5488372) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine
PubChem CID5488372
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine
SMILESClc1nccc2[nH]c(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C12H7BrClN3/c13-8-3-1-7(2-4-8)12-16-9-5-6-15-11(14)10(9)17-12/h1-6H,(H,16,17)
InChIKeyNOFAYXAPSXNFKZ-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 54.04
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 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine (CID 5488372) is 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine is Clc1nccc2[nH]c(-c3ccc(Br)cc3)nc12.
What is the InChIKey of 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine?
The InChIKey is NOFAYXAPSXNFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-8-3-1-7(2-4-8)12-16-9-5-6-15-11(14)10(9)17-12/h1-6H,(H,16,17).
What are the key properties of 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine?
2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine has a molecular weight of 308.57 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-chloro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 5488372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).