2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine

C10H12ClN3 — CID 79293422

IUPAC2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2C
InChIInChI=1S/C10H12ClN3/c1-7-4-6-12-10-9(7)13-8(3-5-11)14(10)2/h4,6H,3,5H2,1-2H3
InChIKeyBCJPHWYESYFDOG-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.06
Rot. Bonds2

About 2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine (PubChem CID 79293422) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
PubChem CID79293422
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2C
InChIInChI=1S/C10H12ClN3/c1-7-4-6-12-10-9(7)13-8(3-5-11)14(10)2/h4,6H,3,5H2,1-2H3
InChIKeyBCJPHWYESYFDOG-UHFFFAOYSA-N
XLogP2.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.06
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)-7-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79362792
2-(2-chloroethyl)-7-methyl-3-[(2-methylpyrimidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277501
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
2-(2-chloroethyl)-3-(3-fluoro-5-methylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79277940
2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylethanamine
CID 79294107
2-(2-chloroethyl)-7-methyl-3-(5,5,5-trifluoropentyl)imidazo[4,5-b]pyridine
CID 115521123
N-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79293158
2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 115991019
3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420277
2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine
CID 79293082
2-(2-chloroethyl)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
CID 79293789
2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79293597

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine (CID 79293422) is 2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCCl)n2C.
What is the InChIKey of 2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine?
The InChIKey is BCJPHWYESYFDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-7-4-6-12-10-9(7)13-8(3-5-11)14(10)2/h4,6H,3,5H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine has a molecular weight of 209.68 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).