3,5-dicyanophenolate

C8H3N2O- — CID 139243771

IUPAC3,5-dicyanophenolate
SMILESN#Cc1cc([O-])cc(C#N)c1
InChIInChI=1S/C8H4N2O/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3,11H/p-1
InChIKeyCHASTCUDJNQBOZ-UHFFFAOYSA-M
MW143.12 g/mol
LogP0.50
Rot. Bonds

About 3,5-dicyanophenolate

3,5-dicyanophenolate (PubChem CID 139243771) has the molecular formula C8H3N2O- and a molecular weight of 143.12 g/mol. Its IUPAC name is 3,5-dicyanophenolate.

Molecular Properties

Compound Name3,5-dicyanophenolate
PubChem CID139243771
Molecular FormulaC8H3N2O-
Molecular Weight143.12 g/mol
Exact Mass143.03
IUPAC Name3,5-dicyanophenolate
SMILESN#Cc1cc([O-])cc(C#N)c1
InChIInChI=1S/C8H4N2O/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3,11H/p-1
InChIKeyCHASTCUDJNQBOZ-UHFFFAOYSA-M
XLogP0.50
TPSA70.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dicyanophenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Cyanophenol
CID 13394
2-[(3-Hydroxyphenyl)methylidene]propanedinitrile
CID 252473
5-Hydroxyisophthalonitrile
CID 21949874
3-Hydroxy-5-methylbenzonitrile
CID 21949823
4-(Aminooxy)benzonitrile
CID 6422401
3-Cyanophenyl sulfamate
CID 10420257
2-(3-Hydroxyphenyl)ethene-1,1,2-tricarbonitrile
CID 44576154
3-(Trimethylsilyloxy)benzonitrile
CID 4070696
3-(Aminooxy)benzonitrile
CID 15326528
3-Hydroxy-5-(trifluoromethyl)benzonitrile
CID 53413196
3-Cyanophenylfluoranesulfonate
CID 132101787
4-Cyanophenolate
CID 23270156

Frequently Asked Questions

What is the IUPAC name of 3,5-dicyanophenolate?
The IUPAC name of 3,5-dicyanophenolate (CID 139243771) is 3,5-dicyanophenolate.
What is the SMILES notation for 3,5-dicyanophenolate?
The canonical SMILES for 3,5-dicyanophenolate is N#Cc1cc([O-])cc(C#N)c1.
What is the InChIKey of 3,5-dicyanophenolate?
The InChIKey is CHASTCUDJNQBOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H4N2O/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3,11H/p-1.
What are the key properties of 3,5-dicyanophenolate?
3,5-dicyanophenolate has a molecular weight of 143.12 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyanophenolate is sourced from PubChem (CID 139243771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).