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

C13H16ClN3 — CID 79294310

IUPAC2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine
SMILESCC1(C)CC1n1c(CCCl)nc2cccnc21
InChIInChI=1S/C13H16ClN3/c1-13(2)8-10(13)17-11(5-6-14)16-9-4-3-7-15-12(9)17/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyDXLDVVADDYOXOZ-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.18
Rot. Bonds3

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

2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine (PubChem CID 79294310) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine
PubChem CID79294310
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine
SMILESCC1(C)CC1n1c(CCCl)nc2cccnc21
InChIInChI=1S/C13H16ClN3/c1-13(2)8-10(13)17-11(5-6-14)16-9-4-3-7-15-12(9)17/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyDXLDVVADDYOXOZ-UHFFFAOYSA-N
XLogP3.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.18
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-(2,2-dimethylcyclopentyl)imidazo[4,5-b]pyridine
CID 79870709
2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine
CID 79293082
2-(chloromethyl)-3-(3-methoxy-2,2-dimethylcyclobutyl)imidazo[4,5-b]pyridine
CID 114119985
2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine
CID 114123296
2-(2-chloroethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 79294540
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81135772
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
CID 63757289
2-(2-chloroethyl)-3-(2,6-dichlorophenyl)imidazo[4,5-b]pyridine
CID 79295127
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79294516
2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294596

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine (CID 79294310) is 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine is CC1(C)CC1n1c(CCCl)nc2cccnc21.
What is the InChIKey of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine?
The InChIKey is DXLDVVADDYOXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-13(2)8-10(13)17-11(5-6-14)16-9-4-3-7-15-12(9)17/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine has a molecular weight of 249.74 g/mol, XLogP of 3.18, 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-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).