3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid

C12H11NO3S — CID 63640004

IUPAC3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
SMILESCc1ccc(OCc2ccsc2C(=O)O)cn1
InChIInChI=1S/C12H11NO3S/c1-8-2-3-10(6-13-8)16-7-9-4-5-17-11(9)12(14)15/h2-6H,7H2,1H3,(H,14,15)
InChIKeyUEHYVBKKYAEVGV-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.73
Rot. Bonds4

About 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid

3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid (PubChem CID 63640004) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
PubChem CID63640004
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
SMILESCc1ccc(OCc2ccsc2C(=O)O)cn1
InChIInChI=1S/C12H11NO3S/c1-8-2-3-10(6-13-8)16-7-9-4-5-17-11(9)12(14)15/h2-6H,7H2,1H3,(H,14,15)
InChIKeyUEHYVBKKYAEVGV-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-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carbohydrazide
CID 63640197
3-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 55247033
2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 62073745
3-[(3,4-difluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63639331
4-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 104637795
5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 55173092
3-[(3-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63639324
3-[(3-chloro-4-cyanophenoxy)methyl]thiophene-2-carboxylic acid
CID 102723950
3-[(3-bromo-5-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 81322068
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
3-(2-ethoxyethoxymethyl)thiophene-2-carboxylic acid
CID 63641034
3-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63641040

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid (CID 63640004) is 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid is Cc1ccc(OCc2ccsc2C(=O)O)cn1.
What is the InChIKey of 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid?
The InChIKey is UEHYVBKKYAEVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-8-2-3-10(6-13-8)16-7-9-4-5-17-11(9)12(14)15/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 3-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid?
3-[(6-methyl-3-pyridinyl)oxymethyl]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-[(6-methyl-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63640004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).