2-(2-amino-3-bromophenyl)phenol

C12H10BrNO — CID 71724191

IUPAC2-(2-amino-3-bromophenyl)phenol
SMILESNc1c(Br)cccc1-c1ccccc1O
InChIInChI=1S/C12H10BrNO/c13-10-6-3-5-9(12(10)14)8-4-1-2-7-11(8)15/h1-7,15H,14H2
InChIKeyXDSINQCSOKKODK-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.40
Rot. Bonds1

About 2-(2-amino-3-bromophenyl)phenol

2-(2-amino-3-bromophenyl)phenol (PubChem CID 71724191) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 2-(2-amino-3-bromophenyl)phenol.

Molecular Properties

Compound Name2-(2-amino-3-bromophenyl)phenol
PubChem CID71724191
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name2-(2-amino-3-bromophenyl)phenol
SMILESNc1c(Br)cccc1-c1ccccc1O
InChIInChI=1S/C12H10BrNO/c13-10-6-3-5-9(12(10)14)8-4-1-2-7-11(8)15/h1-7,15H,14H2
InChIKeyXDSINQCSOKKODK-UHFFFAOYSA-N
XLogP3.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-amino-3-bromophenyl)phenol?
The IUPAC name of 2-(2-amino-3-bromophenyl)phenol (CID 71724191) is 2-(2-amino-3-bromophenyl)phenol.
What is the SMILES notation for 2-(2-amino-3-bromophenyl)phenol?
The canonical SMILES for 2-(2-amino-3-bromophenyl)phenol is Nc1c(Br)cccc1-c1ccccc1O.
What is the InChIKey of 2-(2-amino-3-bromophenyl)phenol?
The InChIKey is XDSINQCSOKKODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-10-6-3-5-9(12(10)14)8-4-1-2-7-11(8)15/h1-7,15H,14H2.
What are the key properties of 2-(2-amino-3-bromophenyl)phenol?
2-(2-amino-3-bromophenyl)phenol has a molecular weight of 264.12 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-bromophenyl)phenol is sourced from PubChem (CID 71724191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).