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

C14H18ClN3 — CID 79293082

IUPAC2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2C1CC1(C)C
InChIInChI=1S/C14H18ClN3/c1-9-5-7-16-13-12(9)17-11(4-6-15)18(13)10-8-14(10,2)3/h5,7,10H,4,6,8H2,1-3H3
InChIKeyOJLLKVPGPAMDPJ-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.49
Rot. Bonds3

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

2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293082) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79293082
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2C1CC1(C)C
InChIInChI=1S/C14H18ClN3/c1-9-5-7-16-13-12(9)17-11(4-6-15)18(13)10-8-14(10,2)3/h5,7,10H,4,6,8H2,1-3H3
InChIKeyOJLLKVPGPAMDPJ-UHFFFAOYSA-N
XLogP3.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.49
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)-3-cyclohexyl-7-methylimidazo[4,5-b]pyridine
CID 79293789
2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)imidazo[4,5-b]pyridine
CID 79294310
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79294095
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
3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420277
2-[[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375958
2-(2-chloroethyl)-7-methyl-3-(thiophen-3-ylmethyl)imidazo[4,5-b]pyridine
CID 79293233
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187
2-(2-chloroethyl)-3-(2,4-dimethylphenyl)-7-methylimidazo[4,5-b]pyridine
CID 79276029

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine (CID 79293082) is 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCCl)n2C1CC1(C)C.
What is the InChIKey of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is OJLLKVPGPAMDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9-5-7-16-13-12(9)17-11(4-6-15)18(13)10-8-14(10,2)3/h5,7,10H,4,6,8H2,1-3H3.
What are the key properties of 2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-(2,2-dimethylcyclopropyl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 263.77 g/mol, XLogP of 3.49, 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)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).