2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine

C15H13ClFN3 — CID 79293205

IUPAC2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2Cc1ccc(F)cc1
InChIInChI=1S/C15H13ClFN3/c1-10-6-7-18-15-14(10)19-13(8-16)20(15)9-11-2-4-12(17)5-3-11/h2-7H,8-9H2,1H3
InChIKeyFVXICXJZEUYGTQ-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.67
Rot. Bonds3

About 2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293205) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
PubChem CID79293205
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCl)n2Cc1ccc(F)cc1
InChIInChI=1S/C15H13ClFN3/c1-10-6-7-18-15-14(10)19-13(8-16)20(15)9-11-2-4-12(17)5-3-11/h2-7H,8-9H2,1H3
InChIKeyFVXICXJZEUYGTQ-UHFFFAOYSA-N
XLogP3.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.67
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-(chloromethyl)-7-methyl-3-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 79293455
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187
3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 81177532
2-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,3-oxazole
CID 114180809
2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79279788
2-(chloromethyl)-3-(cyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293421
2-(chloromethyl)-3-(2-ethoxy-2-methylpropyl)-7-methylimidazo[4,5-b]pyridine
CID 114943375
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79293507
2-(2-chloroethyl)-7-methyl-3-(thiophen-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79293233
3-(2-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293725
2-ethyl-7-methyl-3-[(4-nitrophenyl)methyl]imidazo[4,5-b]pyridine
CID 23156205

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine (CID 79293205) is 2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCl)n2Cc1ccc(F)cc1.
What is the InChIKey of 2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine?
The InChIKey is FVXICXJZEUYGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c1-10-6-7-18-15-14(10)19-13(8-16)20(15)9-11-2-4-12(17)5-3-11/h2-7H,8-9H2,1H3.
What are the key properties of 2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine has a molecular weight of 289.74 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-[(4-fluorophenyl)methyl]-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).