2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine

C14H18ClN3O — CID 113482212

IUPAC2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(C3(C)CCOC3)c2n1
InChIInChI=1S/C14H18ClN3O/c1-10-3-4-11-13(16-10)18(12(17-11)5-7-15)14(2)6-8-19-9-14/h3-4H,5-9H2,1-2H3
InChIKeyNARBRKCPXSXRBM-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.66
Rot. Bonds3

About 2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 113482212) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID113482212
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(C3(C)CCOC3)c2n1
InChIInChI=1S/C14H18ClN3O/c1-10-3-4-11-13(16-10)18(12(17-11)5-7-15)14(2)6-8-19-9-14/h3-4H,5-9H2,1-2H3
InChIKeyNARBRKCPXSXRBM-UHFFFAOYSA-N
XLogP2.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-5-methyl-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
CID 106216975
2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 115322925
2-(2-chloroethyl)-3-[(1-ethylcyclopropyl)methyl]-5-methylimidazo[4,5-b]pyridine
CID 114101222
2-(2-chloroethyl)-3-(2,2-dimethylcyclopentyl)-5-methylimidazo[4,5-b]pyridine
CID 81135772
2-(2-chloroethyl)-5-methyl-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 81135416
3-[2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 81135449
7-chloro-2-(chloromethyl)-1-(3-methyloxolan-3-yl)imidazo[4,5-c]pyridine
CID 114286250
2-(2-chloroethyl)-3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridine
CID 81135885
2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113485709
2-(chloromethyl)-5-methyl-3-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-b]pyridine
CID 81135976
2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81135769
2-(2-chloroethyl)-3-cycloheptyl-5-methylimidazo[4,5-b]pyridine
CID 81135670

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine (CID 113482212) is 2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine is Cc1ccc2nc(CCCl)n(C3(C)CCOC3)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is NARBRKCPXSXRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10-3-4-11-13(16-10)18(12(17-11)5-7-15)14(2)6-8-19-9-14/h3-4H,5-9H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 279.77 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-methyl-3-(3-methyloxolan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 113482212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).