7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile

C8H3ClN2OS — CID 59702080

IUPAC7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1c(Cl)c2sccc2[nH]c1=O
InChIInChI=1S/C8H3ClN2OS/c9-6-4(3-10)8(12)11-5-1-2-13-7(5)6/h1-2H,(H,11,12)
InChIKeyRFIFQKUCSJZVBO-UHFFFAOYSA-N
MW210.65 g/mol
LogP2.11
Rot. Bonds

About 7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile

7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile (PubChem CID 59702080) has the molecular formula C8H3ClN2OS and a molecular weight of 210.65 g/mol. Its IUPAC name is 7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile
PubChem CID59702080
Molecular FormulaC8H3ClN2OS
Molecular Weight210.65 g/mol
Exact Mass209.97
IUPAC Name7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1c(Cl)c2sccc2[nH]c1=O
InChIInChI=1S/C8H3ClN2OS/c9-6-4(3-10)8(12)11-5-1-2-13-7(5)6/h1-2H,(H,11,12)
InChIKeyRFIFQKUCSJZVBO-UHFFFAOYSA-N
XLogP2.11
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.65
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile 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 7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile (CID 59702080) is 7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile is N#Cc1c(Cl)c2sccc2[nH]c1=O.
What is the InChIKey of 7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile?
The InChIKey is RFIFQKUCSJZVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClN2OS/c9-6-4(3-10)8(12)11-5-1-2-13-7(5)6/h1-2H,(H,11,12).
What are the key properties of 7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile?
7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile has a molecular weight of 210.65 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 59702080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).