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

C16H15ClFN3 — CID 79279306

IUPAC2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cc(F)cc(-n2c(C(C)Cl)nc3cc(C)cnc32)c1
InChIInChI=1S/C16H15ClFN3/c1-9-4-12(18)7-13(5-9)21-15(11(3)17)20-14-6-10(2)8-19-16(14)21/h4-8,11H,1-3H3
InChIKeyKGNHUXGSLFICAR-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.48
Rot. Bonds2

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

2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79279306) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79279306
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cc(F)cc(-n2c(C(C)Cl)nc3cc(C)cnc32)c1
InChIInChI=1S/C16H15ClFN3/c1-9-4-12(18)7-13(5-9)21-15(11(3)17)20-14-6-10(2)8-19-16(14)21/h4-8,11H,1-3H3
InChIKeyKGNHUXGSLFICAR-UHFFFAOYSA-N
XLogP4.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
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

2-(1-chloroethyl)-3-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79301562
6-bromo-2-(1-chloroethyl)-3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 79280598
2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79278529
6-bromo-2-(1-chloroethyl)-3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79280600
2-(1-chloroethyl)-3-(3,4-dichlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279268
6-bromo-3-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)imidazo[4,5-b]pyridine
CID 107576204
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279129
2-(1-chloroethyl)-3-(2,3-difluorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279103
6-bromo-2-(1-chloroethyl)-3-(5-fluoro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79278037
2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79301723
4-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79278162
3-[(4-bromophenyl)methyl]-2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79278156

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine (CID 79279306) is 2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine is Cc1cc(F)cc(-n2c(C(C)Cl)nc3cc(C)cnc32)c1.
What is the InChIKey of 2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is KGNHUXGSLFICAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-9-4-12(18)7-13(5-9)21-15(11(3)17)20-14-6-10(2)8-19-16(14)21/h4-8,11H,1-3H3.
What are the key properties of 2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 303.77 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79279306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).