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

C14H10BrCl2N3 — CID 81275828

IUPAC3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1-c1cc(Cl)ccc1Br
InChIInChI=1S/C14H10BrCl2N3/c15-10-4-3-9(17)8-12(10)20-13(5-6-16)19-11-2-1-7-18-14(11)20/h1-4,7-8H,5-6H2
InChIKeyOZXGPSNWDSQKEW-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.62
Rot. Bonds3

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

3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine (PubChem CID 81275828) has the molecular formula C14H10BrCl2N3 and a molecular weight of 371.07 g/mol. Its IUPAC name is 3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
PubChem CID81275828
Molecular FormulaC14H10BrCl2N3
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
SMILESClCCc1nc2cccnc2n1-c1cc(Cl)ccc1Br
InChIInChI=1S/C14H10BrCl2N3/c15-10-4-3-9(17)8-12(10)20-13(5-6-16)19-11-2-1-7-18-14(11)20/h1-4,7-8H,5-6H2
InChIKeyOZXGPSNWDSQKEW-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

3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 81275001
6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81281193
3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104724676
3-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104780032
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553755
2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 104727613
2-(2-chloroethyl)-3-(2-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79294784
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 81280861
2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine
CID 79295127
2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
CID 107368460
1-(2-bromo-5-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 107638080

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine (CID 81275828) is 3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine is ClCCc1nc2cccnc2n1-c1cc(Cl)ccc1Br.
What is the InChIKey of 3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
The InChIKey is OZXGPSNWDSQKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2N3/c15-10-4-3-9(17)8-12(10)20-13(5-6-16)19-11-2-1-7-18-14(11)20/h1-4,7-8H,5-6H2.
What are the key properties of 3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine?
3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)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 3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 81275828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).