2-(4-chlorophenyl)benzonitrile;hydrochloride

C13H9Cl2N — CID 175053913

IUPAC2-(4-chlorophenyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClN.ClH/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15;/h1-8H;1H
InChIKeySCFMLHSMKPCTPR-UHFFFAOYSA-N
MW250.13 g/mol
LogP4.30
Rot. Bonds1

About 2-(4-chlorophenyl)benzonitrile;hydrochloride

2-(4-chlorophenyl)benzonitrile;hydrochloride (PubChem CID 175053913) has the molecular formula C13H9Cl2N and a molecular weight of 250.13 g/mol. Its IUPAC name is 2-(4-chlorophenyl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)benzonitrile;hydrochloride
PubChem CID175053913
Molecular FormulaC13H9Cl2N
Molecular Weight250.13 g/mol
Exact Mass249.01
IUPAC Name2-(4-chlorophenyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H8ClN.ClH/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15;/h1-8H;1H
InChIKeySCFMLHSMKPCTPR-UHFFFAOYSA-N
XLogP4.30
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)benzonitrile;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)benzonitrile;hydrochloride (CID 175053913) is 2-(4-chlorophenyl)benzonitrile;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)benzonitrile;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)benzonitrile;hydrochloride is Cl.N#Cc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)benzonitrile;hydrochloride?
The InChIKey is SCFMLHSMKPCTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN.ClH/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15;/h1-8H;1H.
What are the key properties of 2-(4-chlorophenyl)benzonitrile;hydrochloride?
2-(4-chlorophenyl)benzonitrile;hydrochloride has a molecular weight of 250.13 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)benzonitrile;hydrochloride is sourced from PubChem (CID 175053913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).