5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid

C13H13NO3S — CID 103175141

IUPAC5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid
SMILESCCc1nc(C)ccc1Oc1ccc(C(=O)O)s1
InChIInChI=1S/C13H13NO3S/c1-3-9-10(5-4-8(2)14-9)17-12-7-6-11(18-12)13(15)16/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyARCHCGZZSWLNMR-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.50
Rot. Bonds4

About 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid

5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid (PubChem CID 103175141) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid
PubChem CID103175141
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid
SMILESCCc1nc(C)ccc1Oc1ccc(C(=O)O)s1
InChIInChI=1S/C13H13NO3S/c1-3-9-10(5-4-8(2)14-9)17-12-7-6-11(18-12)13(15)16/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyARCHCGZZSWLNMR-UHFFFAOYSA-N
XLogP3.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid
CID 103174527
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyridine-3-carboxylic acid
CID 103174497
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 103174512
3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]propanoic acid
CID 103174229
2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid
CID 107141007
methyl 3-amino-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzoate
CID 103175372
methyl 6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine-2-carboxylate
CID 103174503
5-(4-chloro-3-ethylphenoxy)thiophene-2-carboxylic acid
CID 113404029
4-amino-3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103174395
2,4-dichloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,3,5-triazine
CID 103174578
2-amino-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103175349
bis(2-ethyl-6-methyl-3-pyridinyl) (2S)-2-hydroxybutanedioate
CID 138688169

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid (CID 103175141) is 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid is CCc1nc(C)ccc1Oc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
The InChIKey is ARCHCGZZSWLNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-3-9-10(5-4-8(2)14-9)17-12-7-6-11(18-12)13(15)16/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 103175141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).