2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine

C15H20ClN3O2 — CID 104763586

IUPAC2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine
SMILESCOC1(Cn2c(CCCl)nc3cc(C)cnc32)CCOC1
InChIInChI=1S/C15H20ClN3O2/c1-11-7-12-14(17-8-11)19(13(18-12)3-5-16)9-15(20-2)4-6-21-10-15/h7-8H,3-6,9-10H2,1-2H3
InChIKeyNMZLZFKSZLSOHJ-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.33
Rot. Bonds5

About 2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine

2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine (PubChem CID 104763586) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine
PubChem CID104763586
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine
SMILESCOC1(Cn2c(CCCl)nc3cc(C)cnc32)CCOC1
InChIInChI=1S/C15H20ClN3O2/c1-11-7-12-14(17-8-11)19(13(18-12)3-5-16)9-15(20-2)4-6-21-10-15/h7-8H,3-6,9-10H2,1-2H3
InChIKeyNMZLZFKSZLSOHJ-UHFFFAOYSA-N
XLogP2.33
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]imidazo[4,5-b]pyridine
CID 104763579
2-(2-chloroethyl)-6-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridine
CID 113485709
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428
2-(chloromethyl)-3-[(3-methoxyoxolan-3-yl)methyl]benzimidazole-5-carbonitrile
CID 104763521
1-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzimidazol-5-amine
CID 104765910
2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
CID 79306658
2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine
CID 103463014
2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine
CID 79278559
2-(2-chloroethyl)-3-(1-methoxy-2-methylpropan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 113470630
2-(2-chloroethyl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[4,5-b]pyridine
CID 106036574
2-(2-chloroethyl)-6-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79306884
2-(2-chloroethyl)-6-methyl-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79278922

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine (CID 104763586) is 2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine is COC1(Cn2c(CCCl)nc3cc(C)cnc32)CCOC1.
What is the InChIKey of 2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine?
The InChIKey is NMZLZFKSZLSOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-11-7-12-14(17-8-11)19(13(18-12)3-5-16)9-15(20-2)4-6-21-10-15/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine has a molecular weight of 309.80 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-[(3-methoxyoxolan-3-yl)methyl]-6-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 104763586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).