2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine

C13H9ClFN3 — CID 79289700

IUPAC2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(-n2c(CCl)nc3cccnc32)cc1
InChIInChI=1S/C13H9ClFN3/c14-8-12-17-11-2-1-7-16-13(11)18(12)10-5-3-9(15)4-6-10/h1-7H,8H2
InChIKeyLOOHZQRWLCZWNP-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.30
Rot. Bonds2

About 2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine (PubChem CID 79289700) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
PubChem CID79289700
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1ccc(-n2c(CCl)nc3cccnc32)cc1
InChIInChI=1S/C13H9ClFN3/c14-8-12-17-11-2-1-7-16-13(11)18(12)10-5-3-9(15)4-6-10/h1-7H,8H2
InChIKeyLOOHZQRWLCZWNP-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.30
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)-3-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79290101
2-(chloromethyl)-3-(2,4-difluorophenyl)imidazo[4,5-b]pyridine
CID 79289374
2-(chloromethyl)-3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridine
CID 79293048
3-(4-fluorophenyl)-2-methylimidazo[4,5-b]pyridine
CID 14119097
3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161697
2-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165459
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
CID 107368460
3-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104780032
2-(2-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79273871
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 117165326
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
CID 20955885

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine (CID 79289700) is 2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine is Fc1ccc(-n2c(CCl)nc3cccnc32)cc1.
What is the InChIKey of 2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is LOOHZQRWLCZWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-8-12-17-11-2-1-7-16-13(11)18(12)10-5-3-9(15)4-6-10/h1-7H,8H2.
What are the key properties of 2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 261.69 g/mol, XLogP of 3.30, 2 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)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79289700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).