2-[(4-bromophenyl)methylideneamino]benzonitrile

C14H9BrN2 — CID 568450

IUPAC2-[(4-bromophenyl)methylideneamino]benzonitrile
SMILESN#Cc1ccccc1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2/c15-13-7-5-11(6-8-13)10-17-14-4-2-1-3-12(14)9-16/h1-8,10H/b17-10+
InChIKeyYSZNKTGOIMMLEL-LICLKQGHSA-N
MW285.14 g/mol
LogP4.07
Rot. Bonds2

About 2-[(4-bromophenyl)methylideneamino]benzonitrile

2-[(4-bromophenyl)methylideneamino]benzonitrile (PubChem CID 568450) has the molecular formula C14H9BrN2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylideneamino]benzonitrile.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylideneamino]benzonitrile
PubChem CID568450
Molecular FormulaC14H9BrN2
Molecular Weight285.14 g/mol
Exact Mass283.99
IUPAC Name2-[(4-bromophenyl)methylideneamino]benzonitrile
SMILESN#Cc1ccccc1/N=C/c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2/c15-13-7-5-11(6-8-13)10-17-14-4-2-1-3-12(14)9-16/h1-8,10H/b17-10+
InChIKeyYSZNKTGOIMMLEL-LICLKQGHSA-N
XLogP4.07
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylideneamino]benzonitrile?
The IUPAC name of 2-[(4-bromophenyl)methylideneamino]benzonitrile (CID 568450) is 2-[(4-bromophenyl)methylideneamino]benzonitrile.
What is the SMILES notation for 2-[(4-bromophenyl)methylideneamino]benzonitrile?
The canonical SMILES for 2-[(4-bromophenyl)methylideneamino]benzonitrile is N#Cc1ccccc1/N=C/c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylideneamino]benzonitrile?
The InChIKey is YSZNKTGOIMMLEL-LICLKQGHSA-N. The full InChI is InChI=1S/C14H9BrN2/c15-13-7-5-11(6-8-13)10-17-14-4-2-1-3-12(14)9-16/h1-8,10H/b17-10+.
What are the key properties of 2-[(4-bromophenyl)methylideneamino]benzonitrile?
2-[(4-bromophenyl)methylideneamino]benzonitrile has a molecular weight of 285.14 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylideneamino]benzonitrile is sourced from PubChem (CID 568450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).