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

C8H4N2OS — CID 119054384

IUPAC7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile
SMILESN#Cc1cc2[nH]ccc(=O)c2s1
InChIInChI=1S/C8H4N2OS/c9-4-5-3-6-8(12-5)7(11)1-2-10-6/h1-3H,(H,10,11)
InChIKeyNBLPKZQKXSTDKG-UHFFFAOYSA-N
MW176.20 g/mol
LogP1.46
Rot. Bonds

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

7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile (PubChem CID 119054384) has the molecular formula C8H4N2OS and a molecular weight of 176.20 g/mol. Its IUPAC name is 7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile
PubChem CID119054384
Molecular FormulaC8H4N2OS
Molecular Weight176.20 g/mol
Exact Mass176.00
IUPAC Name7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile
SMILESN#Cc1cc2[nH]ccc(=O)c2s1
InChIInChI=1S/C8H4N2OS/c9-4-5-3-6-8(12-5)7(11)1-2-10-6/h1-3H,(H,10,11)
InChIKeyNBLPKZQKXSTDKG-UHFFFAOYSA-N
XLogP1.46
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thieno(3,2-b)pyridin-7-ol
CID 5074765
7-Hydroxythieno[3,2-b]pyridine-3-carbonitrile
CID 129914243
2-fluoro-4H-thieno[3,2-b]pyridin-7-one
CID 143542184
2-(trifluoromethyl)-4H-thieno[3,2-b]pyridin-7-one
CID 176384768
7-Oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carbonitrile
CID 12394800
6-methylsulfinyl-4H-thieno[3,2-b]pyridin-7-one
CID 20158902
6-methylsulfanyl-4H-thieno[3,2-b]pyridin-7-one
CID 20158904
2-methyl-6-methylsulfanyl-4H-thieno[3,2-b]pyridin-7-one
CID 20158916
2,4-Dimethyl-6-methylsulfanylthieno[3,2-b]pyridin-7-one
CID 20158960
7-Oxo-2-phenyl-4,7-dihydrothieno[3,2-b]pyridine-6-carbonitrile
CID 22256667
6-Chlorothieno[3,2-B]pyridin-7-OL
CID 57775512
7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
CID 67551476

Frequently Asked Questions

What is the IUPAC name of 7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile?
The IUPAC name of 7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile (CID 119054384) is 7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile.
What is the SMILES notation for 7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile?
The canonical SMILES for 7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile is N#Cc1cc2[nH]ccc(=O)c2s1.
What is the InChIKey of 7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile?
The InChIKey is NBLPKZQKXSTDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2OS/c9-4-5-3-6-8(12-5)7(11)1-2-10-6/h1-3H,(H,10,11).
What are the key properties of 7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile?
7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile has a molecular weight of 176.20 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-4H-thieno[3,2-b]pyridine-2-carbonitrile is sourced from PubChem (CID 119054384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).