N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide

C14H9ClN2O2S — CID 54690353

IUPACN-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1sc2ncccc2c1O
InChIInChI=1S/C14H9ClN2O2S/c15-9-5-1-2-6-10(9)17-13(19)12-11(18)8-4-3-7-16-14(8)20-12/h1-7,18H,(H,17,19)
InChIKeyCOZHSSITUZKFOZ-UHFFFAOYSA-N
MW304.76 g/mol
LogP3.91
Rot. Bonds2

About N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide

N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide (PubChem CID 54690353) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide
PubChem CID54690353
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC NameN-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1sc2ncccc2c1O
InChIInChI=1S/C14H9ClN2O2S/c15-9-5-1-2-6-10(9)17-13(19)12-11(18)8-4-3-7-16-14(8)20-12/h1-7,18H,(H,17,19)
InChIKeyCOZHSSITUZKFOZ-UHFFFAOYSA-N
XLogP3.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide (CID 54690353) is N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccccc1Cl)c1sc2ncccc2c1O.
What is the InChIKey of N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is COZHSSITUZKFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-9-5-1-2-6-10(9)17-13(19)12-11(18)8-4-3-7-16-14(8)20-12/h1-7,18H,(H,17,19).
What are the key properties of N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide?
N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 304.76 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 54690353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).