7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile

C9H8N2S — CID 89290782

IUPAC7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile
SMILESCc1c(C#N)cnc2c1SCC2
InChIInChI=1S/C9H8N2S/c1-6-7(4-10)5-11-8-2-3-12-9(6)8/h5H,2-3H2,1H3
InChIKeyWTAVCNNLXMFJKP-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.91
Rot. Bonds

About 7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile

7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile (PubChem CID 89290782) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile
PubChem CID89290782
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile
SMILESCc1c(C#N)cnc2c1SCC2
InChIInChI=1S/C9H8N2S/c1-6-7(4-10)5-11-8-2-3-12-9(6)8/h5H,2-3H2,1H3
InChIKeyWTAVCNNLXMFJKP-UHFFFAOYSA-N
XLogP1.91
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile (CID 89290782) is 7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile is Cc1c(C#N)cnc2c1SCC2.
What is the InChIKey of 7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile?
The InChIKey is WTAVCNNLXMFJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-6-7(4-10)5-11-8-2-3-12-9(6)8/h5H,2-3H2,1H3.
What are the key properties of 7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile?
7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile has a molecular weight of 176.24 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dihydrothieno[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 89290782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).