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

C14H10Cl2FN3 — CID 107368460

IUPAC2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1cc(Cl)cc(-n2c(CCCl)nc3cccnc32)c1
InChIInChI=1S/C14H10Cl2FN3/c15-4-3-13-19-12-2-1-5-18-14(12)20(13)11-7-9(16)6-10(17)8-11/h1-2,5-8H,3-4H2
InChIKeyYWYFRJLGFLRWSL-UHFFFAOYSA-N
MW310.16 g/mol
LogP3.99
Rot. Bonds3

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

2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine (PubChem CID 107368460) has the molecular formula C14H10Cl2FN3 and a molecular weight of 310.16 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
PubChem CID107368460
Molecular FormulaC14H10Cl2FN3
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine
SMILESFc1cc(Cl)cc(-n2c(CCCl)nc3cccnc32)c1
InChIInChI=1S/C14H10Cl2FN3/c15-4-3-13-19-12-2-1-5-18-14(12)20(13)11-7-9(16)6-10(17)8-11/h1-2,5-8H,3-4H2
InChIKeyYWYFRJLGFLRWSL-UHFFFAOYSA-N
XLogP3.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 53.99
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

3-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104780032
2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine
CID 79295127
3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81275828
2-(2-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79273871
2-(chloromethyl)-3-(4-fluorophenyl)imidazo[4,5-b]pyridine
CID 79289700
2-(2-chloroethyl)-3-(2,5-dichloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 104727613
2-(2-chloroethyl)-3-(2-chloro-4-methylphenyl)imidazo[4,5-b]pyridine
CID 79294784
2-(2-chloroethyl)-3-(4-methoxy-3-methylphenyl)imidazo[4,5-b]pyridine
CID 79274031
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-6-methylimidazo[4,5-b]pyridine
CID 79279129
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79277940
3-(2-bromo-5-chloro-4-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104724676
3-(3-chlorophenyl)-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165988

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine (CID 107368460) is 2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine is Fc1cc(Cl)cc(-n2c(CCCl)nc3cccnc32)c1.
What is the InChIKey of 2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is YWYFRJLGFLRWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3/c15-4-3-13-19-12-2-1-5-18-14(12)20(13)11-7-9(16)6-10(17)8-11/h1-2,5-8H,3-4H2.
What are the key properties of 2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 310.16 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-(3-chloro-5-fluorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 107368460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).