5-(aminomethyl)-4-bromo-2-fluorophenol

C7H7BrFNO — CID 118991902

IUPAC5-(aminomethyl)-4-bromo-2-fluorophenol
SMILESNCc1cc(O)c(F)cc1Br
InChIInChI=1S/C7H7BrFNO/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,11H,3,10H2
InChIKeyRUTJWQBEPKMOLX-UHFFFAOYSA-N
MW220.04 g/mol
LogP1.75
Rot. Bonds1

About 5-(aminomethyl)-4-bromo-2-fluorophenol

5-(aminomethyl)-4-bromo-2-fluorophenol (PubChem CID 118991902) has the molecular formula C7H7BrFNO and a molecular weight of 220.04 g/mol. Its IUPAC name is 5-(aminomethyl)-4-bromo-2-fluorophenol.

Molecular Properties

Compound Name5-(aminomethyl)-4-bromo-2-fluorophenol
PubChem CID118991902
Molecular FormulaC7H7BrFNO
Molecular Weight220.04 g/mol
Exact Mass218.97
IUPAC Name5-(aminomethyl)-4-bromo-2-fluorophenol
SMILESNCc1cc(O)c(F)cc1Br
InChIInChI=1S/C7H7BrFNO/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,11H,3,10H2
InChIKeyRUTJWQBEPKMOLX-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

Analyze 5-(aminomethyl)-4-bromo-2-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-bromo-2-fluorophenol?
The IUPAC name of 5-(aminomethyl)-4-bromo-2-fluorophenol (CID 118991902) is 5-(aminomethyl)-4-bromo-2-fluorophenol.
What is the SMILES notation for 5-(aminomethyl)-4-bromo-2-fluorophenol?
The canonical SMILES for 5-(aminomethyl)-4-bromo-2-fluorophenol is NCc1cc(O)c(F)cc1Br.
What is the InChIKey of 5-(aminomethyl)-4-bromo-2-fluorophenol?
The InChIKey is RUTJWQBEPKMOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,11H,3,10H2.
What are the key properties of 5-(aminomethyl)-4-bromo-2-fluorophenol?
5-(aminomethyl)-4-bromo-2-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 5-(aminomethyl)-4-bromo-2-fluorophenol is sourced from PubChem (CID 118991902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).