2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine

C14H10Br2ClN3 — CID 107601553

IUPAC2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1-c1c(Br)cccc1Br
InChIInChI=1S/C14H10Br2ClN3/c1-8(17)14-19-11-7-18-6-5-12(11)20(14)13-9(15)3-2-4-10(13)16/h2-8H,1H3
InChIKeyJKQXVMRLYZMEQH-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.25
Rot. Bonds2

About 2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine

2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine (PubChem CID 107601553) has the molecular formula C14H10Br2ClN3 and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
PubChem CID107601553
Molecular FormulaC14H10Br2ClN3
Molecular Weight415.52 g/mol
Exact Mass412.89
IUPAC Name2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine
SMILESCC(Cl)c1nc2cnccc2n1-c1c(Br)cccc1Br
InChIInChI=1S/C14H10Br2ClN3/c1-8(17)14-19-11-7-18-6-5-12(11)20(14)13-9(15)3-2-4-10(13)16/h2-8H,1H3
InChIKeyJKQXVMRLYZMEQH-UHFFFAOYSA-N
XLogP5.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.25
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

1-(4-bromo-2,6-dimethylphenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
CID 79274986
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(1-chloroethyl)imidazo[4,5-c]pyridine
CID 107614172
5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601498
6-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601547
2-(1-chloroethyl)-1-(3,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292083
1-(2-bromo-6-fluorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 107601622
2-(1-chloroethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362122
4-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601557
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637841
2-(1-chloroethyl)-1-(3,3-dimethylbutan-2-yl)imidazo[4,5-c]pyridine
CID 104829127
2-(1-chloroethyl)-1-(1-pyridin-4-ylethyl)imidazo[4,5-c]pyridine
CID 79292511
2-(1-chloroethyl)-1-(2-methoxy-5-methylphenyl)imidazo[4,5-c]pyridine
CID 79273328

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine (CID 107601553) is 2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine is CC(Cl)c1nc2cnccc2n1-c1c(Br)cccc1Br.
What is the InChIKey of 2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine?
The InChIKey is JKQXVMRLYZMEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClN3/c1-8(17)14-19-11-7-18-6-5-12(11)20(14)13-9(15)3-2-4-10(13)16/h2-8H,1H3.
What are the key properties of 2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine?
2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine has a molecular weight of 415.52 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2,6-dibromophenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 107601553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).