6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine

C14H10BrCl2N3 — CID 79302168

IUPAC6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cc(Br)cnc2n1-c1cccc(Cl)c1
InChIInChI=1S/C14H10BrCl2N3/c15-9-6-12-14(18-8-9)20(13(19-12)4-5-16)11-3-1-2-10(17)7-11/h1-3,6-8H,4-5H2
InChIKeyRSCRDCDLOALHGG-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.62
Rot. Bonds3

About 6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine

6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine (PubChem CID 79302168) has the molecular formula C14H10BrCl2N3 and a molecular weight of 371.07 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine
PubChem CID79302168
Molecular FormulaC14H10BrCl2N3
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cc(Br)cnc2n1-c1cccc(Cl)c1
InChIInChI=1S/C14H10BrCl2N3/c15-9-6-12-14(18-8-9)20(13(19-12)4-5-16)11-3-1-2-10(17)7-11/h1-3,6-8H,4-5H2
InChIKeyRSCRDCDLOALHGG-UHFFFAOYSA-N
XLogP4.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.62
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

6-bromo-2-(2-chloroethyl)-3-(3-ethylphenyl)imidazo[4,5-b]pyridine
CID 79280597
6-bromo-3-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 107614215
6-bromo-3-(3-bromo-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279729
6-bromo-2-(2-chloroethyl)-3-(3-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79278413
6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81281193
6-bromo-2-(2-chloroethyl)-3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278415
6-bromo-3-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79279160
6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280595
6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine
CID 79301892
6-bromo-2-(2-chloroethyl)-3-(2-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
CID 107529559
3-(4-bromophenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300717
6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 104780070

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine (CID 79302168) is 6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine is ClCCc1nc2cc(Br)cnc2n1-c1cccc(Cl)c1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is RSCRDCDLOALHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2N3/c15-9-6-12-14(18-8-9)20(13(19-12)4-5-16)11-3-1-2-10(17)7-11/h1-3,6-8H,4-5H2.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 371.07 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-(3-chlorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).