3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid

C12H11NO2S — CID 22326481

IUPAC3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccccn2)s1
InChIInChI=1S/C12H11NO2S/c14-12(15)7-5-9-4-6-11(16-9)10-3-1-2-8-13-10/h1-4,6,8H,5,7H2,(H,14,15)
InChIKeyGYSMCWFKLRPSTA-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.83
Rot. Bonds4

About 3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid

3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid (PubChem CID 22326481) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid
PubChem CID22326481
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccccn2)s1
InChIInChI=1S/C12H11NO2S/c14-12(15)7-5-9-4-6-11(16-9)10-3-1-2-8-13-10/h1-4,6,8H,5,7H2,(H,14,15)
InChIKeyGYSMCWFKLRPSTA-UHFFFAOYSA-N
XLogP2.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid?
The IUPAC name of 3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid (CID 22326481) is 3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid?
The canonical SMILES for 3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid is O=C(O)CCc1ccc(-c2ccccn2)s1.
What is the InChIKey of 3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid?
The InChIKey is GYSMCWFKLRPSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-12(15)7-5-9-4-6-11(16-9)10-3-1-2-8-13-10/h1-4,6,8H,5,7H2,(H,14,15).
What are the key properties of 3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid?
3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid has a molecular weight of 233.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid is sourced from PubChem (CID 22326481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).