4-pyridin-4-ylthiophene-3-carboxylic acid

C10H7NO2S — CID 83235084

IUPAC4-pyridin-4-ylthiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1-c1ccncc1
InChIInChI=1S/C10H7NO2S/c12-10(13)9-6-14-5-8(9)7-1-3-11-4-2-7/h1-6H,(H,12,13)
InChIKeyWHZVIIBMRVRDOA-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.51
Rot. Bonds2

About 4-pyridin-4-ylthiophene-3-carboxylic acid

4-pyridin-4-ylthiophene-3-carboxylic acid (PubChem CID 83235084) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-pyridin-4-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-pyridin-4-ylthiophene-3-carboxylic acid
PubChem CID83235084
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name4-pyridin-4-ylthiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1-c1ccncc1
InChIInChI=1S/C10H7NO2S/c12-10(13)9-6-14-5-8(9)7-1-3-11-4-2-7/h1-6H,(H,12,13)
InChIKeyWHZVIIBMRVRDOA-UHFFFAOYSA-N
XLogP2.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dipyridin-4-ylterephthalic acid
CID 163197795
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
4-(3-methylphenyl)thiophene-3-carboxylic acid
CID 83234591
5-pyridin-4-ylnaphthalene-1-carboxylic acid
CID 22118910
4-phenylthiophene-3-carboxylate
CID 6974416
2,4-dimethyl-5-pyridin-4-ylbenzoic acid
CID 107515528
4-methyl-5-pyridin-4-ylpyridine-3-carboxylic acid
CID 140683950
4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid
CID 82130354
4-(3-bromo-4-fluorophenyl)thiophene-3-carboxylic acid
CID 83234334
phenyl-(4-phenylthiophen-3-yl)methanone
CID 10730343
3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride
CID 141009067
4-pyridin-4-ylpyridine;thiophene-2,5-dicarboxylic acid
CID 71406990

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylthiophene-3-carboxylic acid?
The IUPAC name of 4-pyridin-4-ylthiophene-3-carboxylic acid (CID 83235084) is 4-pyridin-4-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 4-pyridin-4-ylthiophene-3-carboxylic acid?
The canonical SMILES for 4-pyridin-4-ylthiophene-3-carboxylic acid is O=C(O)c1cscc1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-ylthiophene-3-carboxylic acid?
The InChIKey is WHZVIIBMRVRDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-10(13)9-6-14-5-8(9)7-1-3-11-4-2-7/h1-6H,(H,12,13).
What are the key properties of 4-pyridin-4-ylthiophene-3-carboxylic acid?
4-pyridin-4-ylthiophene-3-carboxylic acid has a molecular weight of 205.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 83235084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).