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

C13H12ClN3S — CID 79301361

IUPAC2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2Cc1cccs1
InChIInChI=1S/C13H12ClN3S/c1-9-5-11-13(15-7-9)17(12(6-14)16-11)8-10-3-2-4-18-10/h2-5,7H,6,8H2,1H3
InChIKeyOZSUKFOPDJVTFH-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.59
Rot. Bonds3

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

2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 79301361) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID79301361
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2Cc1cccs1
InChIInChI=1S/C13H12ClN3S/c1-9-5-11-13(15-7-9)17(12(6-14)16-11)8-10-3-2-4-18-10/h2-5,7H,6,8H2,1H3
InChIKeyOZSUKFOPDJVTFH-UHFFFAOYSA-N
XLogP3.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.59
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

4-[[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 79301013
2-(chloromethyl)-3-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222
6-bromo-2-(chloromethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79302700
3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide
CID 94757870
7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole
CID 43661018
2-(chloromethyl)-3-(cyclopropylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301845
2-(chloromethyl)-6-methyl-3-(2-methylsulfinylpropyl)imidazo[4,5-b]pyridine
CID 113484391
5-(chloromethyl)-1,3-dimethyl-6-(thiophen-2-ylmethyl)imidazo[4,5-d]pyrazole
CID 79297314
2-(2-chloroethyl)-5-methoxy-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115322705
1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746861
2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
CID 79306658
2-(chloromethyl)-3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridine
CID 79300713

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine (CID 79301361) is 2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCl)n2Cc1cccs1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is OZSUKFOPDJVTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-9-5-11-13(15-7-9)17(12(6-14)16-11)8-10-3-2-4-18-10/h2-5,7H,6,8H2,1H3.
What are the key properties of 2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 277.78 g/mol, XLogP of 3.59, 3 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-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79301361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).