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

C13H8BrCl2N3 — CID 81275001

IUPAC3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1-c1cc(Cl)ccc1Br
InChIInChI=1S/C13H8BrCl2N3/c14-9-4-3-8(16)6-11(9)19-12(7-15)18-10-2-1-5-17-13(10)19/h1-6H,7H2
InChIKeyRXPSKCNIFFYUNU-UHFFFAOYSA-N
MW357.04 g/mol
LogP4.58
Rot. Bonds2

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

3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine (PubChem CID 81275001) has the molecular formula C13H8BrCl2N3 and a molecular weight of 357.04 g/mol. Its IUPAC name is 3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
PubChem CID81275001
Molecular FormulaC13H8BrCl2N3
Molecular Weight357.04 g/mol
Exact Mass354.93
IUPAC Name3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1-c1cc(Cl)ccc1Br
InChIInChI=1S/C13H8BrCl2N3/c14-9-4-3-8(16)6-11(9)19-12(7-15)18-10-2-1-5-17-13(10)19/h1-6H,7H2
InChIKeyRXPSKCNIFFYUNU-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

3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81275828
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79289374
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
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
2-(chloromethyl)-3-(3-iodo-2-methylphenyl)imidazo[4,5-b]pyridine
CID 114257731
3-(4-bromo-2,3-dichlorophenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107791834
3-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104780032
2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
CID 79289700
2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79293048
2-(chloromethyl)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79290101

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine (CID 81275001) is 3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine is ClCc1nc2cccnc2n1-c1cc(Cl)ccc1Br.
What is the InChIKey of 3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
The InChIKey is RXPSKCNIFFYUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2N3/c14-9-4-3-8(16)6-11(9)19-12(7-15)18-10-2-1-5-17-13(10)19/h1-6H,7H2.
What are the key properties of 3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine?
3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]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 3-(2-bromo-5-chlorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 81275001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).