(4-amino-3-bromophenyl)methanol

C7H8BrNO — CID 22391294

IUPAC(4-amino-3-bromophenyl)methanol
SMILESNc1ccc(CO)cc1Br
InChIInChI=1S/C7H8BrNO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4,9H2
InChIKeyZYUUROXGZLAEQH-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.52
Rot. Bonds1

About (4-amino-3-bromophenyl)methanol

(4-amino-3-bromophenyl)methanol (PubChem CID 22391294) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is (4-amino-3-bromophenyl)methanol.

Molecular Properties

Compound Name(4-amino-3-bromophenyl)methanol
PubChem CID22391294
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name(4-amino-3-bromophenyl)methanol
SMILESNc1ccc(CO)cc1Br
InChIInChI=1S/C7H8BrNO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4,9H2
InChIKeyZYUUROXGZLAEQH-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.52
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 (4-amino-3-bromophenyl)methanol?
The IUPAC name of (4-amino-3-bromophenyl)methanol (CID 22391294) is (4-amino-3-bromophenyl)methanol.
What is the SMILES notation for (4-amino-3-bromophenyl)methanol?
The canonical SMILES for (4-amino-3-bromophenyl)methanol is Nc1ccc(CO)cc1Br.
What is the InChIKey of (4-amino-3-bromophenyl)methanol?
The InChIKey is ZYUUROXGZLAEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4,9H2.
What are the key properties of (4-amino-3-bromophenyl)methanol?
(4-amino-3-bromophenyl)methanol has a molecular weight of 202.05 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-bromophenyl)methanol is sourced from PubChem (CID 22391294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).