2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine

C12H16ClN3OS — CID 113484391

IUPAC2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2CC(C)S(C)=O
InChIInChI=1S/C12H16ClN3OS/c1-8-4-10-12(14-6-8)16(11(5-13)15-10)7-9(2)18(3)17/h4,6,9H,5,7H2,1-3H3
InChIKeyFKJZEGUQZPIQRR-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.25
Rot. Bonds4

About 2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine

2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine (PubChem CID 113484391) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine
PubChem CID113484391
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2CC(C)S(C)=O
InChIInChI=1S/C12H16ClN3OS/c1-8-4-10-12(14-6-8)16(11(5-13)15-10)7-9(2)18(3)17/h4,6,9H,5,7H2,1-3H3
InChIKeyFKJZEGUQZPIQRR-UHFFFAOYSA-N
XLogP2.25
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.25
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

6-chloro-2-(chloromethyl)-1-(2-methylsulfinylpropyl)benzimidazole
CID 113484388
2-(chloromethyl)-3-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222
2-(chloromethyl)-3-(cyclopropylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301845
2-(chloromethyl)-3-(3-ethylpentan-2-yl)-6-methylimidazo[4,5-b]pyridine
CID 79306291
2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79301361
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethyl carbamate
CID 83205092
2-(2-chloroethyl)-6-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79306884
4-[[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 79301013
2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
CID 79306658
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethylurea
CID 83114579
methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79301226
2-(chloromethyl)-6-methyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79300727

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine (CID 113484391) is 2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCl)n2CC(C)S(C)=O.
What is the InChIKey of 2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is FKJZEGUQZPIQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-8-4-10-12(14-6-8)16(11(5-13)15-10)7-9(2)18(3)17/h4,6,9H,5,7H2,1-3H3.
What are the key properties of 2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 285.80 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 113484391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).