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

C15H13BrClN3 — CID 79302952

IUPAC6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine
SMILESCCc1ccccc1-n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C15H13BrClN3/c1-2-10-5-3-4-6-13(10)20-14(8-17)19-12-7-11(16)9-18-15(12)20/h3-7,9H,2,8H2,1H3
InChIKeyDJMKWHSFFCMRIX-UHFFFAOYSA-N
MW350.65 g/mol
LogP4.48
Rot. Bonds3

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

6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79302952) has the molecular formula C15H13BrClN3 and a molecular weight of 350.65 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine
PubChem CID79302952
Molecular FormulaC15H13BrClN3
Molecular Weight350.65 g/mol
Exact Mass349.00
IUPAC Name6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine
SMILESCCc1ccccc1-n1c(CCl)nc2cc(Br)cnc21
InChIInChI=1S/C15H13BrClN3/c1-2-10-5-3-4-6-13(10)20-14(8-17)19-12-7-11(16)9-18-15(12)20/h3-7,9H,2,8H2,1H3
InChIKeyDJMKWHSFFCMRIX-UHFFFAOYSA-N
XLogP4.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 54.48
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-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
CID 79278416
2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine
CID 79279663
6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine
CID 79301964
6-bromo-2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79302170
2-(chloromethyl)-3-(2-ethylphenyl)-5-methylimidazo[4,5-b]pyridine
CID 81135805
6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 79278638
6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107614160
6-bromo-2-(chloromethyl)-3-(3-methoxyphenyl)imidazo[4,5-b]pyridine
CID 79301892
6-bromo-2-(2-chloroethyl)-3-(2,3-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280595
6-bromo-2-(2-chloroethyl)-3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278415
3-(3-bromo-2-methylphenyl)-6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107637697
6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 79306056

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine (CID 79302952) is 6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine is CCc1ccccc1-n1c(CCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is DJMKWHSFFCMRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3/c1-2-10-5-3-4-6-13(10)20-14(8-17)19-12-7-11(16)9-18-15(12)20/h3-7,9H,2,8H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 350.65 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79302952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).