2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid

C17H13NO4S — CID 139601090

IUPAC2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C(=O)c2sc3ncccc3c2O)cc1
InChIInChI=1S/C17H13NO4S/c1-9(17(21)22)10-4-6-11(7-5-10)13(19)15-14(20)12-3-2-8-18-16(12)23-15/h2-9,20H,1H3,(H,21,22)
InChIKeyUIKKJTTYRZPSDI-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.42
Rot. Bonds4

About 2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid

2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid (PubChem CID 139601090) has the molecular formula C17H13NO4S and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid
PubChem CID139601090
Molecular FormulaC17H13NO4S
Molecular Weight327.36 g/mol
Exact Mass327.06
IUPAC Name2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(C(=O)c2sc3ncccc3c2O)cc1
InChIInChI=1S/C17H13NO4S/c1-9(17(21)22)10-4-6-11(7-5-10)13(19)15-14(20)12-3-2-8-18-16(12)23-15/h2-9,20H,1H3,(H,21,22)
InChIKeyUIKKJTTYRZPSDI-UHFFFAOYSA-N
XLogP3.42
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid (CID 139601090) is 2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(C(=O)c2sc3ncccc3c2O)cc1.
What is the InChIKey of 2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid?
The InChIKey is UIKKJTTYRZPSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4S/c1-9(17(21)22)10-4-6-11(7-5-10)13(19)15-14(20)12-3-2-8-18-16(12)23-15/h2-9,20H,1H3,(H,21,22).
What are the key properties of 2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid?
2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid has a molecular weight of 327.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid is sourced from PubChem (CID 139601090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).