3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile

C6H4N2OS — CID 131117117

IUPAC3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]ccc(=S)c1O
InChIInChI=1S/C6H4N2OS/c7-3-4-6(9)5(10)1-2-8-4/h1-2,9H,(H,8,10)
InChIKeyVWLOGOXZSBCSCW-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.32
Rot. Bonds

About 3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile

3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile (PubChem CID 131117117) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is 3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile
PubChem CID131117117
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]ccc(=S)c1O
InChIInChI=1S/C6H4N2OS/c7-3-4-6(9)5(10)1-2-8-4/h1-2,9H,(H,8,10)
InChIKeyVWLOGOXZSBCSCW-UHFFFAOYSA-N
XLogP1.32
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyethyl)-1H-pyrrole-2-carbonitrile
CID 70370001
methyl 2-(3-cyano-4-sulfanylidene-1H-pyridin-2-yl)acetate
CID 130836997
3-prop-2-ynyl-1H-pyrrole-2-carbonitrile
CID 57255830
2-nitro-4-sulfanylidene-1H-pyridine-3-carbonitrile
CID 130951459
3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile
CID 130664887
3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 119017841
3,6-difluoro-2-hydroxybenzonitrile
CID 45083150
4-cyano-2-sulfanylidene-1H-pyridine-3-carbonyl chloride
CID 130775291
3-cyano-1H-pyrrole-2-carboxamide
CID 83668987
7-(2-methoxyethoxy)-4-sulfanylidene-1H-quinoline-6-carbonitrile
CID 22936314
6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile
CID 118804889
3-methoxy-2-sulfanylidene-1H-pyridine-4-carbonitrile
CID 131214023

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile (CID 131117117) is 3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile is N#Cc1[nH]ccc(=S)c1O.
What is the InChIKey of 3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile?
The InChIKey is VWLOGOXZSBCSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c7-3-4-6(9)5(10)1-2-8-4/h1-2,9H,(H,8,10).
What are the key properties of 3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile?
3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile has a molecular weight of 152.18 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-sulfanylidene-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 131117117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).