6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine

C15H12BrClFN3 — CID 79278037

IUPAC6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(F)cc1-n1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C15H12BrClFN3/c1-8-3-4-11(18)6-13(8)21-14(9(2)17)20-12-5-10(16)7-19-15(12)21/h3-7,9H,1-2H3
InChIKeyNNINZDMKCCDEEQ-UHFFFAOYSA-N
MW368.64 g/mol
LogP4.93
Rot. Bonds2

About 6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine

6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine (PubChem CID 79278037) has the molecular formula C15H12BrClFN3 and a molecular weight of 368.64 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
PubChem CID79278037
Molecular FormulaC15H12BrClFN3
Molecular Weight368.64 g/mol
Exact Mass366.99
IUPAC Name6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(F)cc1-n1c(C(C)Cl)nc2cc(Br)cnc21
InChIInChI=1S/C15H12BrClFN3/c1-8-3-4-11(18)6-13(8)21-14(9(2)17)20-12-5-10(16)7-19-15(12)21/h3-7,9H,1-2H3
InChIKeyNNINZDMKCCDEEQ-UHFFFAOYSA-N
XLogP4.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine (CID 79278037) is 6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine is Cc1ccc(F)cc1-n1c(C(C)Cl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is NNINZDMKCCDEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFN3/c1-8-3-4-11(18)6-13(8)21-14(9(2)17)20-12-5-10(16)7-19-15(12)21/h3-7,9H,1-2H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine?
6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 368.64 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79278037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).