methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate

C9H7NO3S — CID 2727696

IUPACmethyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1O
InChIInChI=1S/C9H7NO3S/c1-13-9(12)7-6(11)5-3-2-4-10-8(5)14-7/h2-4,11H,1H3
InChIKeyVNGMVGWUWHNBBW-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.79
Rot. Bonds1

About methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate

methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate (PubChem CID 2727696) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
PubChem CID2727696
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Namemethyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1O
InChIInChI=1S/C9H7NO3S/c1-13-9(12)7-6(11)5-3-2-4-10-8(5)14-7/h2-4,11H,1H3
InChIKeyVNGMVGWUWHNBBW-UHFFFAOYSA-N
XLogP1.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
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 methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate (CID 2727696) is methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2ncccc2c1O.
What is the InChIKey of methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is VNGMVGWUWHNBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c1-13-9(12)7-6(11)5-3-2-4-10-8(5)14-7/h2-4,11H,1H3.
What are the key properties of methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate?
methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 209.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 2727696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).