3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid

C15H11NO3S — CID 1478615

IUPAC3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1OCc1ccccc1
InChIInChI=1S/C15H11NO3S/c17-15(18)13-12(11-7-4-8-16-14(11)20-13)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyGNYNDOBHVHXTIC-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.57
Rot. Bonds4

About 3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid

3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 1478615) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID1478615
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1OCc1ccccc1
InChIInChI=1S/C15H11NO3S/c17-15(18)13-12(11-7-4-8-16-14(11)20-13)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)
InChIKeyGNYNDOBHVHXTIC-UHFFFAOYSA-N
XLogP3.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid (CID 1478615) is 3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2ncccc2c1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is GNYNDOBHVHXTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-15(18)13-12(11-7-4-8-16-14(11)20-13)19-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18).
What are the key properties of 3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid?
3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxythieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 1478615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).