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

C11H11ClF3N3 — CID 79294318

IUPAC2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1CCC(F)(F)F
InChIInChI=1S/C11H11ClF3N3/c1-7(12)9-17-8-3-2-5-16-10(8)18(9)6-4-11(13,14)15/h2-3,5,7H,4,6H2,1H3
InChIKeyZLUVYHRDYIYETJ-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.68
Rot. Bonds3

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

2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine (PubChem CID 79294318) has the molecular formula C11H11ClF3N3 and a molecular weight of 277.68 g/mol. Its IUPAC name is 2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine
PubChem CID79294318
Molecular FormulaC11H11ClF3N3
Molecular Weight277.68 g/mol
Exact Mass277.06
IUPAC Name2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine
SMILESCC(Cl)c1nc2cccnc2n1CCC(F)(F)F
InChIInChI=1S/C11H11ClF3N3/c1-7(12)9-17-8-3-2-5-16-10(8)18(9)6-4-11(13,14)15/h2-3,5,7H,4,6H2,1H3
InChIKeyZLUVYHRDYIYETJ-UHFFFAOYSA-N
XLogP3.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.68
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-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79289928
2-(1-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79294151
2-(1-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294964
2-(1-chloroethyl)-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294750
2-(1-chloroethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274501
2-(1-chloroethyl)-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79295037
2-(1-chloroethyl)-5-methyl-3-(5,5,5-trifluoropentyl)imidazo[4,5-b]pyridine
CID 115521108
2-(1-chloroethyl)-3-(4-imidazol-1-ylbutyl)imidazo[4,5-b]pyridine
CID 79274516
3-[2-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,1-dimethylurea
CID 83114805
2-(1-chloroethyl)-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294675
2-(1-chloroethyl)-3-[(5-chlorothiophen-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294113
2-(1-chloroethyl)-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
CID 115990966

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine (CID 79294318) is 2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine is CC(Cl)c1nc2cccnc2n1CCC(F)(F)F.
What is the InChIKey of 2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine?
The InChIKey is ZLUVYHRDYIYETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3/c1-7(12)9-17-8-3-2-5-16-10(8)18(9)6-4-11(13,14)15/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine has a molecular weight of 277.68 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-3-(3,3,3-trifluoropropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).