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

C14H10BrClFN3 — CID 79301964

IUPAC6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(F)c(-n2c(CCl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C14H10BrClFN3/c1-8-2-3-10(17)12(4-8)20-13(6-16)19-11-5-9(15)7-18-14(11)20/h2-5,7H,6H2,1H3
InChIKeyLUYBLLRITSGHKC-UHFFFAOYSA-N
MW354.61 g/mol
LogP4.37
Rot. Bonds2

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

6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79301964) has the molecular formula C14H10BrClFN3 and a molecular weight of 354.61 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID79301964
Molecular FormulaC14H10BrClFN3
Molecular Weight354.61 g/mol
Exact Mass352.97
IUPAC Name6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(F)c(-n2c(CCl)nc3cc(Br)cnc32)c1
InChIInChI=1S/C14H10BrClFN3/c1-8-2-3-10(17)12(4-8)20-13(6-16)19-11-5-9(15)7-18-14(11)20/h2-5,7H,6H2,1H3
InChIKeyLUYBLLRITSGHKC-UHFFFAOYSA-N
XLogP4.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.61
LogP ≤ 54.37
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-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79302170
6-bromo-3-(4-bromo-2,5-difluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107614160
2-(2-chloroethyl)-3-(2-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79278706
6-bromo-2-(chloromethyl)-1-(2-fluoro-5-methylphenyl)benzimidazole
CID 65344941
6-bromo-3-(3-bromo-4-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 104780070
6-bromo-2-(chloromethyl)-3-(2-ethylphenyl)imidazo[4,5-b]pyridine
CID 79302952
6-bromo-2-(chloromethyl)-3-(2-propan-2-ylphenyl)imidazo[4,5-b]pyridine
CID 79278416
3-(2-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methylimidazo[4,5-b]pyridine
CID 79300930
6-bromo-3-(2-bromo-5-methoxyphenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 79278638
6-bromo-2-(2-chloroethyl)-3-(4-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79279326
6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81281193
2-(chloromethyl)-3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79300713

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine (CID 79301964) is 6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine is Cc1ccc(F)c(-n2c(CCl)nc3cc(Br)cnc32)c1.
What is the InChIKey of 6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is LUYBLLRITSGHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFN3/c1-8-2-3-10(17)12(4-8)20-13(6-16)19-11-5-9(15)7-18-14(11)20/h2-5,7H,6H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine?
6-bromo-2-(chloromethyl)-3-(2-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 354.61 g/mol, XLogP of 4.37, 2 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-fluoro-5-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79301964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).