4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid

C11H9NO3S — CID 66436717

IUPAC4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid
SMILESCc1ccnc(Oc2csc(C(=O)O)c2)c1
InChIInChI=1S/C11H9NO3S/c1-7-2-3-12-10(4-7)15-8-5-9(11(13)14)16-6-8/h2-6H,1H3,(H,13,14)
InChIKeyWUQXBFSZHCCIQE-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.94
Rot. Bonds3

About 4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid

4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid (PubChem CID 66436717) has the molecular formula C11H9NO3S and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid
PubChem CID66436717
Molecular FormulaC11H9NO3S
Molecular Weight235.26 g/mol
Exact Mass235.03
IUPAC Name4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid
SMILESCc1ccnc(Oc2csc(C(=O)O)c2)c1
InChIInChI=1S/C11H9NO3S/c1-7-2-3-12-10(4-7)15-8-5-9(11(13)14)16-6-8/h2-6H,1H3,(H,13,14)
InChIKeyWUQXBFSZHCCIQE-UHFFFAOYSA-N
XLogP2.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437578
4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437149
methyl 4-[(4-methyl-2-pyridinyl)oxy]benzoate
CID 65018945
4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
CID 66437150
4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid
CID 66438899
4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66436265
4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid
CID 106541785
4-(4-bromo-3,5-dimethylphenoxy)thiophene-2-carboxylic acid
CID 107724907
4-pyrazolo[1,5-a]pyrimidin-5-yloxythiophene-2-carboxylic acid
CID 113296835
4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid
CID 116649335
4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436274
2-methyl-3-[(4-methyl-2-pyridinyl)oxy]benzoic acid
CID 82830521

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid (CID 66436717) is 4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid is Cc1ccnc(Oc2csc(C(=O)O)c2)c1.
What is the InChIKey of 4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid?
The InChIKey is WUQXBFSZHCCIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S/c1-7-2-3-12-10(4-7)15-8-5-9(11(13)14)16-6-8/h2-6H,1H3,(H,13,14).
What are the key properties of 4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid?
4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66436717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).