2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide

C14H12Br2N2 — CID 44667451

IUPAC2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1c1ccccc1Br
InChIInChI=1S/C14H11BrN2.BrH/c15-12-7-3-4-8-13(12)17-9-10-5-1-2-6-11(10)14(17)16;/h1-8,16H,9H2;1H/b16-14+;
InChIKeyBFUAWWHOGOEMQL-BACBYAOASA-N
MW368.07 g/mol
LogP4.37
Rot. Bonds1

About 2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide

2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide (PubChem CID 44667451) has the molecular formula C14H12Br2N2 and a molecular weight of 368.07 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide.

Molecular Properties

Compound Name2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide
PubChem CID44667451
Molecular FormulaC14H12Br2N2
Molecular Weight368.07 g/mol
Exact Mass365.94
IUPAC Name2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1c1ccccc1Br
InChIInChI=1S/C14H11BrN2.BrH/c15-12-7-3-4-8-13(12)17-9-10-5-1-2-6-11(10)14(17)16;/h1-8,16H,9H2;1H/b16-14+;
InChIKeyBFUAWWHOGOEMQL-BACBYAOASA-N
XLogP4.37
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 54.37
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-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide?
The IUPAC name of 2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide (CID 44667451) is 2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide.
What is the SMILES notation for 2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide?
The canonical SMILES for 2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide is Br.[H]/N=C1\c2ccccc2CN1c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide?
The InChIKey is BFUAWWHOGOEMQL-BACBYAOASA-N. The full InChI is InChI=1S/C14H11BrN2.BrH/c15-12-7-3-4-8-13(12)17-9-10-5-1-2-6-11(10)14(17)16;/h1-8,16H,9H2;1H/b16-14+;.
What are the key properties of 2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide?
2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide has a molecular weight of 368.07 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3H-isoindol-1-imine;hydrobromide is sourced from PubChem (CID 44667451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).