sodium;benzonitrile;hydroxide

C7H6NNaO — CID 174884418

IUPACsodium;benzonitrile;hydroxide
SMILESN#Cc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C7H5N.Na.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5H;;1H2/q;+1;/p-1
InChIKeyYHKSQKXKGSCEMS-UHFFFAOYSA-M
MW143.12 g/mol
LogP-1.61
Rot. Bonds

About sodium;benzonitrile;hydroxide

sodium;benzonitrile;hydroxide (PubChem CID 174884418) has the molecular formula C7H6NNaO and a molecular weight of 143.12 g/mol. Its IUPAC name is sodium;benzonitrile;hydroxide.

Molecular Properties

Compound Namesodium;benzonitrile;hydroxide
PubChem CID174884418
Molecular FormulaC7H6NNaO
Molecular Weight143.12 g/mol
Exact Mass143.03
IUPAC Namesodium;benzonitrile;hydroxide
SMILESN#Cc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C7H5N.Na.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5H;;1H2/q;+1;/p-1
InChIKeyYHKSQKXKGSCEMS-UHFFFAOYSA-M
XLogP-1.61
TPSA53.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134881879
CID 134881879

Frequently Asked Questions

What is the IUPAC name of sodium;benzonitrile;hydroxide?
The IUPAC name of sodium;benzonitrile;hydroxide (CID 174884418) is sodium;benzonitrile;hydroxide.
What is the SMILES notation for sodium;benzonitrile;hydroxide?
The canonical SMILES for sodium;benzonitrile;hydroxide is N#Cc1ccccc1.[Na+].[OH-].
What is the InChIKey of sodium;benzonitrile;hydroxide?
The InChIKey is YHKSQKXKGSCEMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5N.Na.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5H;;1H2/q;+1;/p-1.
What are the key properties of sodium;benzonitrile;hydroxide?
sodium;benzonitrile;hydroxide has a molecular weight of 143.12 g/mol, XLogP of -1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzonitrile;hydroxide is sourced from PubChem (CID 174884418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).