2-(benzylideneamino)-5-bromobenzonitrile

C14H9BrN2 — CID 70612368

IUPAC2-(benzylideneamino)-5-bromobenzonitrile
SMILESN#Cc1cc(Br)ccc1/N=C/c1ccccc1
InChIInChI=1S/C14H9BrN2/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8,10H/b17-10+
InChIKeyDTWQOHVMRQYCHZ-LICLKQGHSA-N
MW285.14 g/mol
LogP4.07
Rot. Bonds2

About 2-(benzylideneamino)-5-bromobenzonitrile

2-(benzylideneamino)-5-bromobenzonitrile (PubChem CID 70612368) has the molecular formula C14H9BrN2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-(benzylideneamino)-5-bromobenzonitrile.

Molecular Properties

Compound Name2-(benzylideneamino)-5-bromobenzonitrile
PubChem CID70612368
Molecular FormulaC14H9BrN2
Molecular Weight285.14 g/mol
Exact Mass283.99
IUPAC Name2-(benzylideneamino)-5-bromobenzonitrile
SMILESN#Cc1cc(Br)ccc1/N=C/c1ccccc1
InChIInChI=1S/C14H9BrN2/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8,10H/b17-10+
InChIKeyDTWQOHVMRQYCHZ-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-(benzylideneamino)-5-bromobenzonitrile?
The IUPAC name of 2-(benzylideneamino)-5-bromobenzonitrile (CID 70612368) is 2-(benzylideneamino)-5-bromobenzonitrile.
What is the SMILES notation for 2-(benzylideneamino)-5-bromobenzonitrile?
The canonical SMILES for 2-(benzylideneamino)-5-bromobenzonitrile is N#Cc1cc(Br)ccc1/N=C/c1ccccc1.
What is the InChIKey of 2-(benzylideneamino)-5-bromobenzonitrile?
The InChIKey is DTWQOHVMRQYCHZ-LICLKQGHSA-N. The full InChI is InChI=1S/C14H9BrN2/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8,10H/b17-10+.
What are the key properties of 2-(benzylideneamino)-5-bromobenzonitrile?
2-(benzylideneamino)-5-bromobenzonitrile 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-(benzylideneamino)-5-bromobenzonitrile is sourced from PubChem (CID 70612368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).