2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine

C16H15ClFN3 — CID 79273103

IUPAC2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine
SMILESCC(c1ccccc1F)n1c(CCCl)nc2cccnc21
InChIInChI=1S/C16H15ClFN3/c1-11(12-5-2-3-6-13(12)18)21-15(8-9-17)20-14-7-4-10-19-16(14)21/h2-7,10-11H,8-9H2,1H3
InChIKeyBGEWOEDHZXELMO-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.96
Rot. Bonds4

About 2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 79273103) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine
PubChem CID79273103
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine
SMILESCC(c1ccccc1F)n1c(CCCl)nc2cccnc21
InChIInChI=1S/C16H15ClFN3/c1-11(12-5-2-3-6-13(12)18)21-15(8-9-17)20-14-7-4-10-19-16(14)21/h2-7,10-11H,8-9H2,1H3
InChIKeyBGEWOEDHZXELMO-UHFFFAOYSA-N
XLogP3.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.96
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-(2-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294520
2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79294516
3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79273400
2-(chloromethyl)-3-(1-phenylethyl)imidazo[4,5-b]pyridine
CID 79289366
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide
CID 79295243
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide
CID 103112358
2-(chloromethyl)-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294950
2-(2-chloroethyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79295045
7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667598
5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590
2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79289197
3-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104780032

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine (CID 79273103) is 2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine is CC(c1ccccc1F)n1c(CCCl)nc2cccnc21.
What is the InChIKey of 2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is BGEWOEDHZXELMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-11(12-5-2-3-6-13(12)18)21-15(8-9-17)20-14-7-4-10-19-16(14)21/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 303.77 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79273103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).