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

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Related Compounds

7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile
CID 71121560
3-methyl-7-methylsulfanylthieno[3,2-b]pyridine
CID 70670025
7-(iodomethyl)-3-methylthieno[3,2-b]pyridine-6-carbonitrile
CID 89326777
3-methylthieno[3,2-b]pyridine-7-carboxylic acid
CID 131109716
4-amino-3-methyl-1-benzothiophene-7-carbonitrile
CID 131119383
4-fluoro-3-methyl-1-benzothiophene-7-carbonitrile
CID 131058049
2-amino-3-methylpyridine-4-carbonitrile
CID 119015865
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718970
2-chloro-3-methylpyridine-4-carbonitrile
CID 58188815
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718992
3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile
CID 102685743
4-bromo-1,3-benzothiazole-7-carbonitrile
CID 131417746

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).