1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine

C13H8BrCl2N3 — CID 107614265

IUPAC1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine
SMILESClCc1nc2cnccc2n1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H8BrCl2N3/c14-9-2-1-8(5-10(9)16)19-12-3-4-17-7-11(12)18-13(19)6-15/h1-5,7H,6H2
InChIKeyBFNWREXTUQNFIV-UHFFFAOYSA-N
MW357.04 g/mol
LogP4.58
Rot. Bonds2

About 1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine

1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine (PubChem CID 107614265) has the molecular formula C13H8BrCl2N3 and a molecular weight of 357.04 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine
PubChem CID107614265
Molecular FormulaC13H8BrCl2N3
Molecular Weight357.04 g/mol
Exact Mass354.93
IUPAC Name1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine
SMILESClCc1nc2cnccc2n1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H8BrCl2N3/c14-9-2-1-8(5-10(9)16)19-12-3-4-17-7-11(12)18-13(19)6-15/h1-5,7H,6H2
InChIKeyBFNWREXTUQNFIV-UHFFFAOYSA-N
XLogP4.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.04
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine
CID 79291949
2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine
CID 79292227
3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
CID 115378883
2-(2-chloroethyl)-1-(3-chloro-4-methoxyphenyl)imidazo[4,5-c]pyridine
CID 79273787
1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292367
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637786
2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine
CID 104727625
1-(3-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292847
1-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
CID 107614232
1-(3-bromo-4-chlorophenyl)-6-chloro-2-(chloromethyl)benzimidazole
CID 115471721
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292643
2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292852

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine (CID 107614265) is 1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine is ClCc1nc2cnccc2n1-c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine?
The InChIKey is BFNWREXTUQNFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2N3/c14-9-2-1-8(5-10(9)16)19-12-3-4-17-7-11(12)18-13(19)6-15/h1-5,7H,6H2.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine?
1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine has a molecular weight of 357.04 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 107614265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).