3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine

C13H9BrClN3 — CID 24904101

IUPAC3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine
SMILESClc1ccc2ncn(Cc3ccc(Br)cc3)c2n1
InChIInChI=1S/C13H9BrClN3/c14-10-3-1-9(2-4-10)7-18-8-16-11-5-6-12(15)17-13(11)18/h1-6,8H,7H2
InChIKeyWVOZWKNMUKVCHA-UHFFFAOYSA-N
MW322.59 g/mol
LogP3.90
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine

3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine (PubChem CID 24904101) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine
PubChem CID24904101
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine
SMILESClc1ccc2ncn(Cc3ccc(Br)cc3)c2n1
InChIInChI=1S/C13H9BrClN3/c14-10-3-1-9(2-4-10)7-18-8-16-11-5-6-12(15)17-13(11)18/h1-6,8H,7H2
InChIKeyWVOZWKNMUKVCHA-UHFFFAOYSA-N
XLogP3.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 167902238
1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol
CID 22504210
5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 24903989
6-bromo-3-[(4-bromophenyl)methyl]quinazolin-4-one
CID 3414977
2-chloro-9-[(4-chlorophenyl)methyl]purine
CID 24904102
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
5-amino-3-[(4-bromophenyl)methyl]-6-chloropyrimidin-4-one
CID 114582782
4-[(5-cyanoimidazo[4,5-b]pyridin-3-yl)methyl]benzenesulfinic acid
CID 155206085
3-benzylimidazo[4,5-b]pyridine
CID 11009167
3-[(4-aminophenyl)methyl]-6-bromoquinazolin-4-one
CID 62055159
6-[(6-bromoimidazo[4,5-b]pyridin-3-yl)methyl]-2-methylsulfanyl-1,3-benzothiazole
CID 89498606

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine (CID 24904101) is 3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine is Clc1ccc2ncn(Cc3ccc(Br)cc3)c2n1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine?
The InChIKey is WVOZWKNMUKVCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c14-10-3-1-9(2-4-10)7-18-8-16-11-5-6-12(15)17-13(11)18/h1-6,8H,7H2.
What are the key properties of 3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine?
3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine has a molecular weight of 322.59 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine is sourced from PubChem (CID 24904101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).