3-methylthieno[3,2-b]pyridine-7-carbonitrile

C9H6N2S — CID 135392199

IUPAC3-methylthieno[3,2-b]pyridine-7-carbonitrile
SMILESCc1csc2c(C#N)ccnc12
InChIInChI=1S/C9H6N2S/c1-6-5-12-9-7(4-10)2-3-11-8(6)9/h2-3,5H,1H3
InChIKeyRXURDCLDNKORCA-UHFFFAOYSA-N
MW174.23 g/mol
LogP2.48
Rot. Bonds

About 3-methylthieno[3,2-b]pyridine-7-carbonitrile

3-methylthieno[3,2-b]pyridine-7-carbonitrile (PubChem CID 135392199) has the molecular formula C9H6N2S and a molecular weight of 174.23 g/mol. Its IUPAC name is 3-methylthieno[3,2-b]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-methylthieno[3,2-b]pyridine-7-carbonitrile
PubChem CID135392199
Molecular FormulaC9H6N2S
Molecular Weight174.23 g/mol
Exact Mass174.03
IUPAC Name3-methylthieno[3,2-b]pyridine-7-carbonitrile
SMILESCc1csc2c(C#N)ccnc12
InChIInChI=1S/C9H6N2S/c1-6-5-12-9-7(4-10)2-3-11-8(6)9/h2-3,5H,1H3
InChIKeyRXURDCLDNKORCA-UHFFFAOYSA-N
XLogP2.48
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methylthieno[3,2-b]pyridine-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylthieno[3,2-b]pyridine-7-carbonitrile?
The IUPAC name of 3-methylthieno[3,2-b]pyridine-7-carbonitrile (CID 135392199) is 3-methylthieno[3,2-b]pyridine-7-carbonitrile.
What is the SMILES notation for 3-methylthieno[3,2-b]pyridine-7-carbonitrile?
The canonical SMILES for 3-methylthieno[3,2-b]pyridine-7-carbonitrile is Cc1csc2c(C#N)ccnc12.
What is the InChIKey of 3-methylthieno[3,2-b]pyridine-7-carbonitrile?
The InChIKey is RXURDCLDNKORCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2S/c1-6-5-12-9-7(4-10)2-3-11-8(6)9/h2-3,5H,1H3.
What are the key properties of 3-methylthieno[3,2-b]pyridine-7-carbonitrile?
3-methylthieno[3,2-b]pyridine-7-carbonitrile has a molecular weight of 174.23 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthieno[3,2-b]pyridine-7-carbonitrile is sourced from PubChem (CID 135392199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).