(2-bromophenyl)-phenylmethanimine

C13H10BrN — CID 101497406

IUPAC(2-bromophenyl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1ccccc1Br
InChIInChI=1S/C13H10BrN/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,15H/b15-13+
InChIKeyCJNBHWXWUQZLBE-FYWRMAATSA-N
MW260.13 g/mol
LogP3.87
Rot. Bonds2

About (2-bromophenyl)-phenylmethanimine

(2-bromophenyl)-phenylmethanimine (PubChem CID 101497406) has the molecular formula C13H10BrN and a molecular weight of 260.13 g/mol. Its IUPAC name is (2-bromophenyl)-phenylmethanimine.

Molecular Properties

Compound Name(2-bromophenyl)-phenylmethanimine
PubChem CID101497406
Molecular FormulaC13H10BrN
Molecular Weight260.13 g/mol
Exact Mass259.00
IUPAC Name(2-bromophenyl)-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1ccccc1Br
InChIInChI=1S/C13H10BrN/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,15H/b15-13+
InChIKeyCJNBHWXWUQZLBE-FYWRMAATSA-N
XLogP3.87
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-bromophenyl)-phenylmethanimine?
The IUPAC name of (2-bromophenyl)-phenylmethanimine (CID 101497406) is (2-bromophenyl)-phenylmethanimine.
What is the SMILES notation for (2-bromophenyl)-phenylmethanimine?
The canonical SMILES for (2-bromophenyl)-phenylmethanimine is [H]/N=C(\c1ccccc1)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-phenylmethanimine?
The InChIKey is CJNBHWXWUQZLBE-FYWRMAATSA-N. The full InChI is InChI=1S/C13H10BrN/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,15H/b15-13+.
What are the key properties of (2-bromophenyl)-phenylmethanimine?
(2-bromophenyl)-phenylmethanimine has a molecular weight of 260.13 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-phenylmethanimine is sourced from PubChem (CID 101497406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).