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

C14H8N2OS — CID 22256667

IUPAC7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1c[nH]c2cc(-c3ccccc3)sc2c1=O
InChIInChI=1S/C14H8N2OS/c15-7-10-8-16-11-6-12(18-14(11)13(10)17)9-4-2-1-3-5-9/h1-6,8H,(H,16,17)
InChIKeyJMSXAUSGKNPLHV-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.13
Rot. Bonds1

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

7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile (PubChem CID 22256667) has the molecular formula C14H8N2OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile
PubChem CID22256667
Molecular FormulaC14H8N2OS
Molecular Weight252.30 g/mol
Exact Mass252.04
IUPAC Name7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1c[nH]c2cc(-c3ccccc3)sc2c1=O
InChIInChI=1S/C14H8N2OS/c15-7-10-8-16-11-6-12(18-14(11)13(10)17)9-4-2-1-3-5-9/h1-6,8H,(H,16,17)
InChIKeyJMSXAUSGKNPLHV-UHFFFAOYSA-N
XLogP3.13
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile (CID 22256667) is 7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile is N#Cc1c[nH]c2cc(-c3ccccc3)sc2c1=O.
What is the InChIKey of 7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile?
The InChIKey is JMSXAUSGKNPLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2OS/c15-7-10-8-16-11-6-12(18-14(11)13(10)17)9-4-2-1-3-5-9/h1-6,8H,(H,16,17).
What are the key properties of 7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile?
7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile has a molecular weight of 252.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-2-phenyl-4H-thieno[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 22256667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).