benzonitrile;2-chlorobenzonitrile

C14H9ClN2 — CID 158701743

IUPACbenzonitrile;2-chlorobenzonitrile
SMILESN#Cc1ccccc1.N#Cc1ccccc1Cl
InChIInChI=1S/C7H4ClN.C7H5N/c8-7-4-2-1-3-6(7)5-9;8-6-7-4-2-1-3-5-7/h1-4H;1-5H
InChIKeyIHPYAAQVNNFQHJ-UHFFFAOYSA-N
MW240.69 g/mol
LogP3.77
Rot. Bonds

About benzonitrile;2-chlorobenzonitrile

benzonitrile;2-chlorobenzonitrile (PubChem CID 158701743) has the molecular formula C14H9ClN2 and a molecular weight of 240.69 g/mol. Its IUPAC name is benzonitrile;2-chlorobenzonitrile.

Molecular Properties

Compound Namebenzonitrile;2-chlorobenzonitrile
PubChem CID158701743
Molecular FormulaC14H9ClN2
Molecular Weight240.69 g/mol
Exact Mass240.05
IUPAC Namebenzonitrile;2-chlorobenzonitrile
SMILESN#Cc1ccccc1.N#Cc1ccccc1Cl
InChIInChI=1S/C7H4ClN.C7H5N/c8-7-4-2-1-3-6(7)5-9;8-6-7-4-2-1-3-5-7/h1-4H;1-5H
InChIKeyIHPYAAQVNNFQHJ-UHFFFAOYSA-N
XLogP3.77
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chlorobenzonitrile
CID 139060041
2-chlorobenzonitrile;hydron
CID 131860473
2-chlorobenzonitrile;sulfuryl dichloride
CID 157411242
(14N)benzonitrile
CID 102268532
sodium;benzonitrile;hydroxide
CID 174884418
benzonitrile;hydron;fluoride
CID 22022751
tetrakis(benzonitrile);palladium(2+);dichloride
CID 173091067
6-chloro-7-oxocyclohepta-1,3,5-triene-1-carbonitrile
CID 45120034
benzonitrile;hypoiodous acid
CID 174504508
sodium;benzonitrile;ethane
CID 174741528
bis(benzonitrile);dibromonickel
CID 22599309
2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine
CID 161134756

Frequently Asked Questions

What is the IUPAC name of benzonitrile;2-chlorobenzonitrile?
The IUPAC name of benzonitrile;2-chlorobenzonitrile (CID 158701743) is benzonitrile;2-chlorobenzonitrile.
What is the SMILES notation for benzonitrile;2-chlorobenzonitrile?
The canonical SMILES for benzonitrile;2-chlorobenzonitrile is N#Cc1ccccc1.N#Cc1ccccc1Cl.
What is the InChIKey of benzonitrile;2-chlorobenzonitrile?
The InChIKey is IHPYAAQVNNFQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN.C7H5N/c8-7-4-2-1-3-6(7)5-9;8-6-7-4-2-1-3-5-7/h1-4H;1-5H.
What are the key properties of benzonitrile;2-chlorobenzonitrile?
benzonitrile;2-chlorobenzonitrile has a molecular weight of 240.69 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;2-chlorobenzonitrile is sourced from PubChem (CID 158701743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).