amino-(5-bromo-2-fluorophenyl)methanol

C7H7BrFNO — CID 116939684

IUPACamino-(5-bromo-2-fluorophenyl)methanol
SMILESNC(O)c1cc(Br)ccc1F
InChIInChI=1S/C7H7BrFNO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7,11H,10H2
InChIKeyNCFYPLGCLCMDEF-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.54
Rot. Bonds1

About amino-(5-bromo-2-fluorophenyl)methanol

amino-(5-bromo-2-fluorophenyl)methanol (PubChem CID 116939684) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is amino-(5-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Nameamino-(5-bromo-2-fluorophenyl)methanol
PubChem CID116939684
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Nameamino-(5-bromo-2-fluorophenyl)methanol
SMILESNC(O)c1cc(Br)ccc1F
InChIInChI=1S/C7H7BrFNO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7,11H,10H2
InChIKeyNCFYPLGCLCMDEF-UHFFFAOYSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(difluoromethyl)-1-fluorobenzene
CID 2761161
2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol
CID 83933858
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol
CID 83933857
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936
2-(5-bromo-2-fluorophenyl)-2-chloroacetamide
CID 62226242
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246509
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoic acid;hydrochloride
CID 162344141
methyl (2R)-2-amino-2-(5-bromo-2-fluorophenyl)acetate;hydrochloride
CID 171220169

Frequently Asked Questions

What is the IUPAC name of amino-(5-bromo-2-fluorophenyl)methanol?
The IUPAC name of amino-(5-bromo-2-fluorophenyl)methanol (CID 116939684) is amino-(5-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for amino-(5-bromo-2-fluorophenyl)methanol?
The canonical SMILES for amino-(5-bromo-2-fluorophenyl)methanol is NC(O)c1cc(Br)ccc1F.
What is the InChIKey of amino-(5-bromo-2-fluorophenyl)methanol?
The InChIKey is NCFYPLGCLCMDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7,11H,10H2.
What are the key properties of amino-(5-bromo-2-fluorophenyl)methanol?
amino-(5-bromo-2-fluorophenyl)methanol has a molecular weight of 220.04 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(5-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 116939684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).