5-amino-4-bromo-2-fluorophenol

C6H5BrFNO — CID 74892030

IUPAC5-amino-4-bromo-2-fluorophenol
SMILESNc1cc(O)c(F)cc1Br
InChIInChI=1S/C6H5BrFNO/c7-3-1-4(8)6(10)2-5(3)9/h1-2,10H,9H2
InChIKeyXAMPGHQTYDZSBZ-UHFFFAOYSA-N
MW206.01 g/mol
LogP1.88
Rot. Bonds

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

5-amino-4-bromo-2-fluorophenol (PubChem CID 74892030) has the molecular formula C6H5BrFNO and a molecular weight of 206.01 g/mol. Its IUPAC name is 5-amino-4-bromo-2-fluorophenol.

Molecular Properties

Compound Name5-amino-4-bromo-2-fluorophenol
PubChem CID74892030
Molecular FormulaC6H5BrFNO
Molecular Weight206.01 g/mol
Exact Mass204.95
IUPAC Name5-amino-4-bromo-2-fluorophenol
SMILESNc1cc(O)c(F)cc1Br
InChIInChI=1S/C6H5BrFNO/c7-3-1-4(8)6(10)2-5(3)9/h1-2,10H,9H2
InChIKeyXAMPGHQTYDZSBZ-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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Related Compounds

5-(aminomethyl)-4-bromo-2-fluorophenol
CID 118991902
4-bromo-5-(difluoromethyl)-2-fluorophenol
CID 119008517
4-bromo-2-fluoro-5-(hydroxymethyl)phenol
CID 66726435
4-bromo-2,5-difluoroaniline
CID 2773285
5-amino-4-bromo-2-fluorobenzonitrile
CID 53415061
2-bromo-4-fluoro-5-hydroxybenzoic acid
CID 66545185
2-bromo-5-fluoro-4-hydroxybenzenesulfonamide
CID 119014938
4-bromo-5-cyclopropyl-2-fluorophenol
CID 155908880
1-(2-amino-5-fluoro-4-hydroxyphenyl)ethanone
CID 131333607
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876
ethyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 131016117
2-bromo-4-ethynyl-5-fluoroaniline
CID 153389992

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-2-fluorophenol?
The IUPAC name of 5-amino-4-bromo-2-fluorophenol (CID 74892030) is 5-amino-4-bromo-2-fluorophenol.
What is the SMILES notation for 5-amino-4-bromo-2-fluorophenol?
The canonical SMILES for 5-amino-4-bromo-2-fluorophenol is Nc1cc(O)c(F)cc1Br.
What is the InChIKey of 5-amino-4-bromo-2-fluorophenol?
The InChIKey is XAMPGHQTYDZSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO/c7-3-1-4(8)6(10)2-5(3)9/h1-2,10H,9H2.
What are the key properties of 5-amino-4-bromo-2-fluorophenol?
5-amino-4-bromo-2-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-4-bromo-2-fluorophenol is sourced from PubChem (CID 74892030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).