5-amino-2-bromo-4-fluorophenol

C6H5BrFNO — CID 10965651

IUPAC5-amino-2-bromo-4-fluorophenol
SMILESNc1cc(O)c(Br)cc1F
InChIInChI=1S/C6H5BrFNO/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H,9H2
InChIKeyMRWRKNRDHHLEPA-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.88
Rot. Bonds

About 5-amino-2-bromo-4-fluorophenol

5-amino-2-bromo-4-fluorophenol (PubChem CID 10965651) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluorophenol.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluorophenol
PubChem CID10965651
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name5-amino-2-bromo-4-fluorophenol
SMILESNc1cc(O)c(Br)cc1F
InChIInChI=1S/C6H5BrFNO/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H,9H2
InChIKeyMRWRKNRDHHLEPA-UHFFFAOYSA-N
XLogP1.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.01
LogP ≤ 51.88
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-bromo-4-fluorophenol?
The IUPAC name of 5-amino-2-bromo-4-fluorophenol (CID 10965651) is 5-amino-2-bromo-4-fluorophenol.
What is the SMILES notation for 5-amino-2-bromo-4-fluorophenol?
The canonical SMILES for 5-amino-2-bromo-4-fluorophenol is Nc1cc(O)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-4-fluorophenol?
The InChIKey is MRWRKNRDHHLEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H,9H2.
What are the key properties of 5-amino-2-bromo-4-fluorophenol?
5-amino-2-bromo-4-fluorophenol has a molecular weight of 206.01 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluorophenol is sourced from PubChem (CID 10965651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).