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

C14H9NO3S — CID 67872823

IUPACphenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
SMILESO=C(Oc1ccccc1)c1sc2ncccc2c1O
InChIInChI=1S/C14H9NO3S/c16-11-10-7-4-8-15-13(10)19-12(11)14(17)18-9-5-2-1-3-6-9/h1-8,16H
InChIKeyIINOGAZCBXKHKJ-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.22
Rot. Bonds2

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

phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate (PubChem CID 67872823) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namephenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
PubChem CID67872823
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Namephenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
SMILESO=C(Oc1ccccc1)c1sc2ncccc2c1O
InChIInChI=1S/C14H9NO3S/c16-11-10-7-4-8-15-13(10)19-12(11)14(17)18-9-5-2-1-3-6-9/h1-8,16H
InChIKeyIINOGAZCBXKHKJ-UHFFFAOYSA-N
XLogP3.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 54710086
N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide
CID 54717219
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid
CID 139601090
3-butylsulfanylthieno[2,3-b]pyridine-2-carboxylic acid
CID 67872843
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
2-phenyldiazenylthieno[2,3-b]pyridin-3-ol
CID 137227991
(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026323
phenyl 3-hydroxy-5-methylthiophene-2-carboxylate
CID 86164411
phenyl 4-amino-1,2-thiazole-5-carboxylate
CID 117218836
5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid
CID 117218877
phenyl quinoline-8-carboxylate
CID 2227226

Frequently Asked Questions

What is the IUPAC name of phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate (CID 67872823) is phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate is O=C(Oc1ccccc1)c1sc2ncccc2c1O.
What is the InChIKey of phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is IINOGAZCBXKHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S/c16-11-10-7-4-8-15-13(10)19-12(11)14(17)18-9-5-2-1-3-6-9/h1-8,16H.
What are the key properties of phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate?
phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 271.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 67872823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).