5-methylthieno[2,3-c]pyridine-2-carboxylic acid

C9H7NO2S — CID 118346730

IUPAC5-methylthieno[2,3-c]pyridine-2-carboxylic acid
SMILESCc1cc2cc(C(=O)O)sc2cn1
InChIInChI=1S/C9H7NO2S/c1-5-2-6-3-7(9(11)12)13-8(6)4-10-5/h2-4H,1H3,(H,11,12)
InChIKeyLBCSRURRNRTWTO-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.30
Rot. Bonds1

About 5-methylthieno[2,3-c]pyridine-2-carboxylic acid

5-methylthieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 118346730) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 5-methylthieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methylthieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID118346730
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name5-methylthieno[2,3-c]pyridine-2-carboxylic acid
SMILESCc1cc2cc(C(=O)O)sc2cn1
InChIInChI=1S/C9H7NO2S/c1-5-2-6-3-7(9(11)12)13-8(6)4-10-5/h2-4H,1H3,(H,11,12)
InChIKeyLBCSRURRNRTWTO-UHFFFAOYSA-N
XLogP2.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

thieno[2,3-f][1]benzothiole-2,6-dicarboxylic acid
CID 139034065
2-acetylthieno[2,3-c]pyridine-5-carboxylic acid
CID 82392482
2-methylthieno[3,2-b]thiophene-5-carboxylic acid
CID 901435
6-methyl-1-benzothiophene-2-carboxylic acid
CID 12813850
4,6-dimethylpyridine-3-carboxylic acid
CID 817290
thieno[2,3-f][1,3]benzodioxole-6-carboxylic acid
CID 10922084
methanol;4-methylthieno[2,3-c]pyridine-2-carboxylic acid
CID 90848092
6-ethyl-5-hydroxy-1-benzothiophene-2-carboxylic acid
CID 131482228
5-methyl-1-benzothiophene;5-methyl-1-benzothiophene-2-carboxylic acid
CID 160776630
2-(3-methylthiolan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 115037371
2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 84798200
methyl 6-(6-methyl-3-pyridinyl)-1-benzothiophene-2-carboxylate
CID 118424914

Frequently Asked Questions

What is the IUPAC name of 5-methylthieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-methylthieno[2,3-c]pyridine-2-carboxylic acid (CID 118346730) is 5-methylthieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methylthieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methylthieno[2,3-c]pyridine-2-carboxylic acid is Cc1cc2cc(C(=O)O)sc2cn1.
What is the InChIKey of 5-methylthieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is LBCSRURRNRTWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-5-2-6-3-7(9(11)12)13-8(6)4-10-5/h2-4H,1H3,(H,11,12).
What are the key properties of 5-methylthieno[2,3-c]pyridine-2-carboxylic acid?
5-methylthieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 193.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylthieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 118346730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).