3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid

C17H13NO2S — CID 139916046

IUPAC3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESC=C(c1ccccc1)c1cncc2sc(C(=O)O)c(C)c12
InChIInChI=1S/C17H13NO2S/c1-10(12-6-4-3-5-7-12)13-8-18-9-14-15(13)11(2)16(21-14)17(19)20/h3-9H,1H2,2H3,(H,19,20)
InChIKeyMGUGLSZLXSQJEG-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.36
Rot. Bonds3

About 3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid

3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 139916046) has the molecular formula C17H13NO2S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID139916046
Molecular FormulaC17H13NO2S
Molecular Weight295.36 g/mol
Exact Mass295.07
IUPAC Name3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESC=C(c1ccccc1)c1cncc2sc(C(=O)O)c(C)c12
InChIInChI=1S/C17H13NO2S/c1-10(12-6-4-3-5-7-12)13-8-18-9-14-15(13)11(2)16(21-14)17(19)20/h3-9H,1H2,2H3,(H,19,20)
InChIKeyMGUGLSZLXSQJEG-UHFFFAOYSA-N
XLogP4.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[4-(trifluoromethyl)phenyl]thieno[2,3-c]pyridine-2-carboxylic acid
CID 139916056
4-methyl-3-(1-phenylethenyl)pyridine
CID 142303241
(5-benzoyl-3,4-dimethylthieno[2,3-b]thiophen-2-yl)-phenylmethanone
CID 15414607
4-ethyl-3-methyl-1-benzothiophene-2-carboxylic acid
CID 91882104
2-benzoyl-3-methyl-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 18672006
3-benzoyl-4,5-dimethylthiophene-2-carboxylic acid
CID 11821344
5-hydroxy-4-methylpyridine-3-carboxylic acid
CID 105429833
1,2,3,4-tetramethyl-5-(1-phenylethenyl)benzene
CID 4285324
3,5-dimethyl-1-benzothiophene-2-carboxylic acid;ethane
CID 142205724
5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 82372555
2-[(3-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 68664528
3-methyl-5-[pyridin-2-yl(pyrimidin-2-yl)amino]-1-benzothiophene-2-carboxylic acid
CID 123631245

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid (CID 139916046) is 3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid is C=C(c1ccccc1)c1cncc2sc(C(=O)O)c(C)c12.
What is the InChIKey of 3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is MGUGLSZLXSQJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2S/c1-10(12-6-4-3-5-7-12)13-8-18-9-14-15(13)11(2)16(21-14)17(19)20/h3-9H,1H2,2H3,(H,19,20).
What are the key properties of 3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-phenylethenyl)thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 139916046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).