2-(aminomethyl)-3-bromo-5-fluorophenol

C7H7BrFNO — CID 119001457

IUPAC2-(aminomethyl)-3-bromo-5-fluorophenol
SMILESNCc1c(O)cc(F)cc1Br
InChIInChI=1S/C7H7BrFNO/c8-6-1-4(9)2-7(11)5(6)3-10/h1-2,11H,3,10H2
InChIKeyWYBBUDAIAOHJHG-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.75
Rot. Bonds1

About 2-(aminomethyl)-3-bromo-5-fluorophenol

2-(aminomethyl)-3-bromo-5-fluorophenol (PubChem CID 119001457) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is 2-(aminomethyl)-3-bromo-5-fluorophenol.

Molecular Properties

Compound Name2-(aminomethyl)-3-bromo-5-fluorophenol
PubChem CID119001457
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name2-(aminomethyl)-3-bromo-5-fluorophenol
SMILESNCc1c(O)cc(F)cc1Br
InChIInChI=1S/C7H7BrFNO/c8-6-1-4(9)2-7(11)5(6)3-10/h1-2,11H,3,10H2
InChIKeyWYBBUDAIAOHJHG-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-fluoro-2-(hydroxymethyl)phenol
CID 119021874
3-bromo-2-(bromomethyl)-5-fluorophenol
CID 119014006
(2,6-dibromo-4-fluorophenyl)methanol
CID 58043943
4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117378201
(2,6-dibromo-4-fluorophenyl)methyl acetate
CID 67016593
2-bromo-5-fluorobenzene-1,3-diol
CID 131382687
3-bromo-5-fluoro-2-methylphenol;ethane
CID 156879236
2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84697319
2-bromo-6-[(1S)-1,2-diaminoethyl]-4-fluorophenol
CID 130699524
5-(aminomethyl)-4-bromo-2-fluorophenol
CID 118991902
2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine
CID 168591166
2-bromo-6-[(1S)-1,2-diaminoethyl]-4-fluorophenol;hydrochloride
CID 171257019

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-bromo-5-fluorophenol?
The IUPAC name of 2-(aminomethyl)-3-bromo-5-fluorophenol (CID 119001457) is 2-(aminomethyl)-3-bromo-5-fluorophenol.
What is the SMILES notation for 2-(aminomethyl)-3-bromo-5-fluorophenol?
The canonical SMILES for 2-(aminomethyl)-3-bromo-5-fluorophenol is NCc1c(O)cc(F)cc1Br.
What is the InChIKey of 2-(aminomethyl)-3-bromo-5-fluorophenol?
The InChIKey is WYBBUDAIAOHJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-6-1-4(9)2-7(11)5(6)3-10/h1-2,11H,3,10H2.
What are the key properties of 2-(aminomethyl)-3-bromo-5-fluorophenol?
2-(aminomethyl)-3-bromo-5-fluorophenol has a molecular weight of 220.04 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-bromo-5-fluorophenol is sourced from PubChem (CID 119001457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).