2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine

C11H8ClN3S — CID 103402838

IUPAC2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
SMILESCc1csc(-c2nc3ccncc3[nH]2)c1Cl
InChIInChI=1S/C11H8ClN3S/c1-6-5-16-10(9(6)12)11-14-7-2-3-13-4-8(7)15-11/h2-5H,1H3,(H,14,15)
InChIKeyGCADHCOXSNDBEG-UHFFFAOYSA-N
MW249.73 g/mol
LogP3.65
Rot. Bonds1

About 2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine

2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine (PubChem CID 103402838) has the molecular formula C11H8ClN3S and a molecular weight of 249.73 g/mol. Its IUPAC name is 2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
PubChem CID103402838
Molecular FormulaC11H8ClN3S
Molecular Weight249.73 g/mol
Exact Mass249.01
IUPAC Name2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
SMILESCc1csc(-c2nc3ccncc3[nH]2)c1Cl
InChIInChI=1S/C11H8ClN3S/c1-6-5-16-10(9(6)12)11-14-7-2-3-13-4-8(7)15-11/h2-5H,1H3,(H,14,15)
InChIKeyGCADHCOXSNDBEG-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine (CID 103402838) is 2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine is Cc1csc(-c2nc3ccncc3[nH]2)c1Cl.
What is the InChIKey of 2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
The InChIKey is GCADHCOXSNDBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S/c1-6-5-16-10(9(6)12)11-14-7-2-3-13-4-8(7)15-11/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine?
2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine has a molecular weight of 249.73 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 103402838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).