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

C15H12Cl2FN3 — CID 79278529

IUPAC2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12Cl2FN3/c1-8-5-13-15(19-7-8)21(14(20-13)9(2)16)10-3-4-12(18)11(17)6-10/h3-7,9H,1-2H3
InChIKeyPPYTWMBYHDWPKJ-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.82
Rot. Bonds2

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

2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine (PubChem CID 79278529) has the molecular formula C15H12Cl2FN3 and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
PubChem CID79278529
Molecular FormulaC15H12Cl2FN3
Molecular Weight324.19 g/mol
Exact Mass323.04
IUPAC Name2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(C(C)Cl)n2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H12Cl2FN3/c1-8-5-13-15(19-7-8)21(14(20-13)9(2)16)10-3-4-12(18)11(17)6-10/h3-7,9H,1-2H3
InChIKeyPPYTWMBYHDWPKJ-UHFFFAOYSA-N
XLogP4.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.82
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-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Basimglurant
CID 11438771
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
8-(2-Chlorophenylamino)-2-(2,6-difluorophenylamino)-9-ethyl-9H-purine-1,7-diium
CID 6852209
1-Methyl-2-pyridin-4-YL-1H-benzoimidazole
CID 786430
2-(6-chloropyridin-3-yl)-1H-1,3-benzodiazole
CID 1488390
6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792
Imidazo[1,2-a]pyridine deriv. 1c
CID 6539020
6-chloro-9-[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine
CID 16736765
Gsk1331258
CID 46190877
7-(2,4-Dichlorophenyl)-2-ethyl-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 18001593

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine (CID 79278529) is 2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(C(C)Cl)n2-c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
The InChIKey is PPYTWMBYHDWPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN3/c1-8-5-13-15(19-7-8)21(14(20-13)9(2)16)10-3-4-12(18)11(17)6-10/h3-7,9H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(3-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine has a molecular weight of 324.19 g/mol, XLogP of 4.82, 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-chloro-4-fluorophenyl)-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79278529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).