3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid

C12H11NO3S — CID 102880260

IUPAC3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid
SMILESCc1cncc(COc2ccsc2C(=O)O)c1
InChIInChI=1S/C12H11NO3S/c1-8-4-9(6-13-5-8)7-16-10-2-3-17-11(10)12(14)15/h2-6H,7H2,1H3,(H,14,15)
InChIKeyGFJSRNGHORAGMR-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.73
Rot. Bonds4

About 3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid

3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 102880260) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid
PubChem CID102880260
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid
SMILESCc1cncc(COc2ccsc2C(=O)O)c1
InChIInChI=1S/C12H11NO3S/c1-8-4-9(6-13-5-8)7-16-10-2-3-17-11(10)12(14)15/h2-6H,7H2,1H3,(H,14,15)
InChIKeyGFJSRNGHORAGMR-UHFFFAOYSA-N
XLogP2.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336500
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338533
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63338532
5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 102881330
3-[(3-bromo-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336501
3-[(4,5-dimethoxy-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63338580
3-[(2-cyano-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
CID 63889212
3-[(5-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 105369830
3-[(4-fluoro-2-methylphenyl)methoxy]thiophene-2-carboxylic acid
CID 114345680
3-[(3-methoxy-5-nitrophenyl)methoxy]thiophene-2-carboxylic acid
CID 81144084
3,5-dichloro-2-[(5-methyl-3-pyridinyl)methoxy]benzoic acid
CID 102881324
3-[(2,3,4,5,6-pentafluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 63335962

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid (CID 102880260) is 3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid is Cc1cncc(COc2ccsc2C(=O)O)c1.
What is the InChIKey of 3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is GFJSRNGHORAGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-8-4-9(6-13-5-8)7-16-10-2-3-17-11(10)12(14)15/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid?
3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-3-pyridinyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 102880260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).