(14N)benzonitrile

C7H5N — CID 102268532

IUPAC(14N)benzonitrile
SMILES[14N]#Cc1ccccc1
InChIInChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H/i8+0
InChIKeyJFDZBHWFFUWGJE-PHPKLKTASA-N
MW103.12 g/mol
LogP1.56
Rot. Bonds

About (14N)benzonitrile

(14N)benzonitrile (PubChem CID 102268532) has the molecular formula C7H5N and a molecular weight of 103.12 g/mol. Its IUPAC name is (14N)benzonitrile.

Molecular Properties

Compound Name(14N)benzonitrile
PubChem CID102268532
Molecular FormulaC7H5N
Molecular Weight103.12 g/mol
Exact Mass103.04
IUPAC Name(14N)benzonitrile
SMILES[14N]#Cc1ccccc1
InChIInChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H/i8+0
InChIKeyJFDZBHWFFUWGJE-PHPKLKTASA-N
XLogP1.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzonitrile;hydron;fluoride
CID 22022751
sodium;benzonitrile;hydroxide
CID 174884418
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
benzonitrile;hypoiodous acid
CID 174504508
sodium;benzonitrile;ethane
CID 174741528
bis(benzonitrile);dibromonickel
CID 22599309
nonakis(benzonitrile);bis(molybdenum(2+));tetratetrafluoroborate
CID 11982199
tetrakis(benzonitrile);palladium(2+);ditetrafluoroborate
CID 14290399
sodium;benzonitrile;azide
CID 158967715
CID 134881879
CID 134881879
benzonitrile;sulfamide
CID 159924446
acetaldehyde;benzonitrile;hydrate
CID 174391399

Frequently Asked Questions

What is the IUPAC name of (14N)benzonitrile?
The IUPAC name of (14N)benzonitrile (CID 102268532) is (14N)benzonitrile.
What is the SMILES notation for (14N)benzonitrile?
The canonical SMILES for (14N)benzonitrile is [14N]#Cc1ccccc1.
What is the InChIKey of (14N)benzonitrile?
The InChIKey is JFDZBHWFFUWGJE-PHPKLKTASA-N. The full InChI is InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H/i8+0.
What are the key properties of (14N)benzonitrile?
(14N)benzonitrile has a molecular weight of 103.12 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (14N)benzonitrile is sourced from PubChem (CID 102268532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).