2-bromo-3,4-bis(ethenyl)aniline

C10H10BrN — CID 166695071

IUPAC2-bromo-3,4-bis(ethenyl)aniline
SMILESC=Cc1ccc(N)c(Br)c1C=C
InChIInChI=1S/C10H10BrN/c1-3-7-5-6-9(12)10(11)8(7)4-2/h3-6H,1-2,12H2
InChIKeyJHVOTUSAWRIFMJ-UHFFFAOYSA-N
MW224.10 g/mol
LogP3.32
Rot. Bonds2

About 2-bromo-3,4-bis(ethenyl)aniline

2-bromo-3,4-bis(ethenyl)aniline (PubChem CID 166695071) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-bromo-3,4-bis(ethenyl)aniline.

Molecular Properties

Compound Name2-bromo-3,4-bis(ethenyl)aniline
PubChem CID166695071
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name2-bromo-3,4-bis(ethenyl)aniline
SMILESC=Cc1ccc(N)c(Br)c1C=C
InChIInChI=1S/C10H10BrN/c1-3-7-5-6-9(12)10(11)8(7)4-2/h3-6H,1-2,12H2
InChIKeyJHVOTUSAWRIFMJ-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4-bis(ethenyl)aniline?
The IUPAC name of 2-bromo-3,4-bis(ethenyl)aniline (CID 166695071) is 2-bromo-3,4-bis(ethenyl)aniline.
What is the SMILES notation for 2-bromo-3,4-bis(ethenyl)aniline?
The canonical SMILES for 2-bromo-3,4-bis(ethenyl)aniline is C=Cc1ccc(N)c(Br)c1C=C.
What is the InChIKey of 2-bromo-3,4-bis(ethenyl)aniline?
The InChIKey is JHVOTUSAWRIFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c1-3-7-5-6-9(12)10(11)8(7)4-2/h3-6H,1-2,12H2.
What are the key properties of 2-bromo-3,4-bis(ethenyl)aniline?
2-bromo-3,4-bis(ethenyl)aniline has a molecular weight of 224.10 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4-bis(ethenyl)aniline is sourced from PubChem (CID 166695071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).