2-hydroxy-1-benzothiophene-5,6-dicarbonitrile

C10H4N2OS — CID 130816987

IUPAC2-hydroxy-1-benzothiophene-5,6-dicarbonitrile
SMILESN#Cc1cc2cc(O)sc2cc1C#N
InChIInChI=1S/C10H4N2OS/c11-4-7-1-6-3-10(13)14-9(6)2-8(7)5-12/h1-3,13H
InChIKeyHBFPNQCKQBAYJT-UHFFFAOYSA-N
MW200.22 g/mol
LogP2.35
Rot. Bonds

About 2-hydroxy-1-benzothiophene-5,6-dicarbonitrile

2-hydroxy-1-benzothiophene-5,6-dicarbonitrile (PubChem CID 130816987) has the molecular formula C10H4N2OS and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-hydroxy-1-benzothiophene-5,6-dicarbonitrile.

Molecular Properties

Compound Name2-hydroxy-1-benzothiophene-5,6-dicarbonitrile
PubChem CID130816987
Molecular FormulaC10H4N2OS
Molecular Weight200.22 g/mol
Exact Mass200.00
IUPAC Name2-hydroxy-1-benzothiophene-5,6-dicarbonitrile
SMILESN#Cc1cc2cc(O)sc2cc1C#N
InChIInChI=1S/C10H4N2OS/c11-4-7-1-6-3-10(13)14-9(6)2-8(7)5-12/h1-3,13H
InChIKeyHBFPNQCKQBAYJT-UHFFFAOYSA-N
XLogP2.35
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dihydroxy-1-benzothiophene-6-carbonitrile
CID 130961153
naphthalene-2,3,6,7-tetracarbonitrile
CID 66972136
2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile
CID 130877320
2-hydroxy-7-sulfanyl-1-benzothiophene-6-carbonitrile
CID 130805811
4-fluoro-2-hydroxy-1-benzothiophene-5-carbonitrile
CID 131030895
naphthalene-2,3-dicarbonitrile
CID 601270
2,5-diamino-1-benzothiophene-6-carbonitrile
CID 130839073
1-benzothiophene-5,6-dicarbonitrile
CID 14716418
5,6-diethyl-1-benzothiophen-2-ol
CID 131091620
2-(hydroxymethyl)-6-sulfanyl-1-benzothiophene-5-carbonitrile
CID 130926407
5-amino-2-chloro-1-benzothiophene-6-carbonitrile
CID 131033920
6-bromo-2-chloro-1-benzothiophene-5-carbonitrile
CID 130788136

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-benzothiophene-5,6-dicarbonitrile?
The IUPAC name of 2-hydroxy-1-benzothiophene-5,6-dicarbonitrile (CID 130816987) is 2-hydroxy-1-benzothiophene-5,6-dicarbonitrile.
What is the SMILES notation for 2-hydroxy-1-benzothiophene-5,6-dicarbonitrile?
The canonical SMILES for 2-hydroxy-1-benzothiophene-5,6-dicarbonitrile is N#Cc1cc2cc(O)sc2cc1C#N.
What is the InChIKey of 2-hydroxy-1-benzothiophene-5,6-dicarbonitrile?
The InChIKey is HBFPNQCKQBAYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N2OS/c11-4-7-1-6-3-10(13)14-9(6)2-8(7)5-12/h1-3,13H.
What are the key properties of 2-hydroxy-1-benzothiophene-5,6-dicarbonitrile?
2-hydroxy-1-benzothiophene-5,6-dicarbonitrile has a molecular weight of 200.22 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-benzothiophene-5,6-dicarbonitrile is sourced from PubChem (CID 130816987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).