3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine

C13H10ClN3O2S — CID 69278967

IUPAC3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1cccc(-c2nc3cccnc3n2Cl)c1
InChIInChI=1S/C13H10ClN3O2S/c1-20(18,19)10-5-2-4-9(8-10)12-16-11-6-3-7-15-13(11)17(12)14/h2-8H,1H3
InChIKeyHGSZKJGPISITLW-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.50
Rot. Bonds2

About 3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine

3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine (PubChem CID 69278967) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine
PubChem CID69278967
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine
SMILESCS(=O)(=O)c1cccc(-c2nc3cccnc3n2Cl)c1
InChIInChI=1S/C13H10ClN3O2S/c1-20(18,19)10-5-2-4-9(8-10)12-16-11-6-3-7-15-13(11)17(12)14/h2-8H,1H3
InChIKeyHGSZKJGPISITLW-UHFFFAOYSA-N
XLogP2.50
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine (CID 69278967) is 3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine is CS(=O)(=O)c1cccc(-c2nc3cccnc3n2Cl)c1.
What is the InChIKey of 3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is HGSZKJGPISITLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c1-20(18,19)10-5-2-4-9(8-10)12-16-11-6-3-7-15-13(11)17(12)14/h2-8H,1H3.
What are the key properties of 3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine?
3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 307.76 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-methylsulfonylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 69278967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).