sodium;methanolate;pyridine-2-carbonitrile

C7H7N2NaO — CID 174929880

IUPACsodium;methanolate;pyridine-2-carbonitrile
SMILESC[O-].N#Cc1ccccn1.[Na+]
InChIInChI=1S/C6H4N2.CH3O.Na/c7-5-6-3-1-2-4-8-6;1-2;/h1-4H;1H3;/q;-1;+1
InChIKeyZUUHPEDNKNDSNG-UHFFFAOYSA-N
MW158.14 g/mol
LogP-3.07
Rot. Bonds

About sodium;methanolate;pyridine-2-carbonitrile

sodium;methanolate;pyridine-2-carbonitrile (PubChem CID 174929880) has the molecular formula C7H7N2NaO and a molecular weight of 158.14 g/mol. Its IUPAC name is sodium;methanolate;pyridine-2-carbonitrile.

Molecular Properties

Compound Namesodium;methanolate;pyridine-2-carbonitrile
PubChem CID174929880
Molecular FormulaC7H7N2NaO
Molecular Weight158.14 g/mol
Exact Mass158.05
IUPAC Namesodium;methanolate;pyridine-2-carbonitrile
SMILESC[O-].N#Cc1ccccn1.[Na+]
InChIInChI=1S/C6H4N2.CH3O.Na/c7-5-6-3-1-2-4-8-6;1-2;/h1-4H;1H3;/q;-1;+1
InChIKeyZUUHPEDNKNDSNG-UHFFFAOYSA-N
XLogP-3.07
TPSA59.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 5-3.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze sodium;methanolate;pyridine-2-carbonitrile 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

ethane;pyridine-2-carbonitrile
CID 90851694
pyridine-2-carbonitrile;zinc
CID 161067493
dicopper;bis(pyridine-2-carbonitrile);tetraacetate
CID 139086400
pyridine-2-carbonitrile;pyridine-3-carbonitrile
CID 23214769
5-deuteriopyridine-2-carbonitrile
CID 175824386
2-ethynylpyridine;hydrate
CID 141238736
CID 172928663
CID 172928663
dimethyl(2-pyridin-2-ylethynyl)silane
CID 155627519
cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate
CID 139074463
5-pyridin-2-ylsulfanylpyridine-2-carbonitrile
CID 115489929
2-[2-(4-iodophenyl)ethynyl]pyridine
CID 125483767
[dimethyl(2-pyridin-2-ylethynyl)silyl]oxy-dimethyl-(2-pyridin-2-ylethynyl)silane
CID 101345226

Frequently Asked Questions

What is the IUPAC name of sodium;methanolate;pyridine-2-carbonitrile?
The IUPAC name of sodium;methanolate;pyridine-2-carbonitrile (CID 174929880) is sodium;methanolate;pyridine-2-carbonitrile.
What is the SMILES notation for sodium;methanolate;pyridine-2-carbonitrile?
The canonical SMILES for sodium;methanolate;pyridine-2-carbonitrile is C[O-].N#Cc1ccccn1.[Na+].
What is the InChIKey of sodium;methanolate;pyridine-2-carbonitrile?
The InChIKey is ZUUHPEDNKNDSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2.CH3O.Na/c7-5-6-3-1-2-4-8-6;1-2;/h1-4H;1H3;/q;-1;+1.
What are the key properties of sodium;methanolate;pyridine-2-carbonitrile?
sodium;methanolate;pyridine-2-carbonitrile has a molecular weight of 158.14 g/mol, XLogP of -3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanolate;pyridine-2-carbonitrile is sourced from PubChem (CID 174929880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).