5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid

C11H9NO2S — CID 79684046

IUPAC5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)cs2)cn1
InChIInChI=1S/C11H9NO2S/c1-7-2-3-8(5-12-7)10-4-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyFKGMLGKIMOYTHG-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.82
Rot. Bonds2

About 5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid

5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid (PubChem CID 79684046) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid
PubChem CID79684046
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)cs2)cn1
InChIInChI=1S/C11H9NO2S/c1-7-2-3-8(5-12-7)10-4-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyFKGMLGKIMOYTHG-UHFFFAOYSA-N
XLogP2.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

5-quinolin-6-ylthiophene-3-carboxylic acid
CID 81224740
5-(4-benzylphenyl)thiophene-3-carboxylic acid
CID 79692056
5-(3,5-difluorophenyl)thiophene-3-carboxylic acid
CID 79683650
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
2,4-dimethyl-5-(6-methyl-3-pyridinyl)benzoic acid
CID 107515583
5-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]thiophene-3-carboxylic acid
CID 106817928
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)thiophene-3-carboxylic acid
CID 79684700
5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 113457320
2-methyl-4-(4-methylthiophen-2-yl)benzoic acid
CID 172650087
2-(4-bromophenyl)-4-[(6-methylpyridine-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 58191184
2-chloro-4-(4-methylthiophen-2-yl)benzoic acid
CID 53445529
2-methyl-5-(4-prop-1-en-2-ylphenyl)pyridine
CID 123543700

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid (CID 79684046) is 5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)cs2)cn1.
What is the InChIKey of 5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid?
The InChIKey is FKGMLGKIMOYTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-7-2-3-8(5-12-7)10-4-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14).
What are the key properties of 5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid?
5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid has a molecular weight of 219.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-3-pyridinyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 79684046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).