2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine

C13H18ClN3O — CID 79293024

IUPAC2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine
SMILESCCC(COC)n1c(CCl)nc2c(C)ccnc21
InChIInChI=1S/C13H18ClN3O/c1-4-10(8-18-3)17-11(7-14)16-12-9(2)5-6-15-13(12)17/h5-6,10H,4,7-8H2,1-3H3
InChIKeyCRBNQCYVHYXSNI-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.08
Rot. Bonds5

About 2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine (PubChem CID 79293024) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine
PubChem CID79293024
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine
SMILESCCC(COC)n1c(CCl)nc2c(C)ccnc21
InChIInChI=1S/C13H18ClN3O/c1-4-10(8-18-3)17-11(7-14)16-12-9(2)5-6-15-13(12)17/h5-6,10H,4,7-8H2,1-3H3
InChIKeyCRBNQCYVHYXSNI-UHFFFAOYSA-N
XLogP3.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.08
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

3-butan-2-yl-2-(chloromethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293279
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-7-methylimidazo[4,5-b]pyridine
CID 79293893
2-(2-chloroethyl)-3-hexan-3-yl-7-methylimidazo[4,5-b]pyridine
CID 79293815
2-(chloromethyl)-3-(dicyclopropylmethyl)-7-methylimidazo[4,5-b]pyridine
CID 79293736
2-(chloromethyl)-4-methoxy-1-(1-methoxybutan-2-yl)benzimidazole
CID 113393137
2-(chloromethyl)-7-methyl-3-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79293076
3-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylbutan-1-amine
CID 79293078
6-chloro-2-(chloromethyl)-1-(1-methoxybutan-2-yl)benzimidazole
CID 113316386
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
CID 79293878
2-(chloromethyl)-7-methyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79293879
2-(chloromethyl)-3-[1-(3-chlorophenyl)ethyl]-7-methylimidazo[4,5-b]pyridine
CID 79275730
7-methyl-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79288525

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine (CID 79293024) is 2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine is CCC(COC)n1c(CCl)nc2c(C)ccnc21.
What is the InChIKey of 2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine?
The InChIKey is CRBNQCYVHYXSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-4-10(8-18-3)17-11(7-14)16-12-9(2)5-6-15-13(12)17/h5-6,10H,4,7-8H2,1-3H3.
What are the key properties of 2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine has a molecular weight of 267.76 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(1-methoxybutan-2-yl)-7-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 79293024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).