7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile

C10H7IN2S — CID 89326777

IUPAC7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile
SMILESCc1csc2c(CI)c(C#N)cnc12
InChIInChI=1S/C10H7IN2S/c1-6-5-14-10-8(2-11)7(3-12)4-13-9(6)10/h4-5H,2H2,1H3
InChIKeyJHBIBRDRJYTBJQ-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.41
Rot. Bonds1

About 7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile

7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile (PubChem CID 89326777) has the molecular formula C10H7IN2S and a molecular weight of 314.15 g/mol. Its IUPAC name is 7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile
PubChem CID89326777
Molecular FormulaC10H7IN2S
Molecular Weight314.15 g/mol
Exact Mass313.94
IUPAC Name7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile
SMILESCc1csc2c(CI)c(C#N)cnc12
InChIInChI=1S/C10H7IN2S/c1-6-5-14-10-8(2-11)7(3-12)4-13-9(6)10/h4-5H,2H2,1H3
InChIKeyJHBIBRDRJYTBJQ-UHFFFAOYSA-N
XLogP3.41
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-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 7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile (CID 89326777) is 7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile is Cc1csc2c(CI)c(C#N)cnc12.
What is the InChIKey of 7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile?
The InChIKey is JHBIBRDRJYTBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2S/c1-6-5-14-10-8(2-11)7(3-12)4-13-9(6)10/h4-5H,2H2,1H3.
What are the key properties of 7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile?
7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile has a molecular weight of 314.15 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 89326777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).