5-amino-2-(2-bromophenyl)phenol

C12H10BrNO — CID 22023432

IUPAC5-amino-2-(2-bromophenyl)phenol
SMILESNc1ccc(-c2ccccc2Br)c(O)c1
InChIInChI=1S/C12H10BrNO/c13-11-4-2-1-3-9(11)10-6-5-8(14)7-12(10)15/h1-7,15H,14H2
InChIKeyMPQSTSHOASVRBC-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.40
Rot. Bonds1

About 5-amino-2-(2-bromophenyl)phenol

5-amino-2-(2-bromophenyl)phenol (PubChem CID 22023432) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 5-amino-2-(2-bromophenyl)phenol.

Molecular Properties

Compound Name5-amino-2-(2-bromophenyl)phenol
PubChem CID22023432
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name5-amino-2-(2-bromophenyl)phenol
SMILESNc1ccc(-c2ccccc2Br)c(O)c1
InChIInChI=1S/C12H10BrNO/c13-11-4-2-1-3-9(11)10-6-5-8(14)7-12(10)15/h1-7,15H,14H2
InChIKeyMPQSTSHOASVRBC-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 5-amino-2-(2-bromophenyl)phenol?
The IUPAC name of 5-amino-2-(2-bromophenyl)phenol (CID 22023432) is 5-amino-2-(2-bromophenyl)phenol.
What is the SMILES notation for 5-amino-2-(2-bromophenyl)phenol?
The canonical SMILES for 5-amino-2-(2-bromophenyl)phenol is Nc1ccc(-c2ccccc2Br)c(O)c1.
What is the InChIKey of 5-amino-2-(2-bromophenyl)phenol?
The InChIKey is MPQSTSHOASVRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c13-11-4-2-1-3-9(11)10-6-5-8(14)7-12(10)15/h1-7,15H,14H2.
What are the key properties of 5-amino-2-(2-bromophenyl)phenol?
5-amino-2-(2-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 5-amino-2-(2-bromophenyl)phenol is sourced from PubChem (CID 22023432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).