5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol

C9H11BrFNO2 — CID 84807316

IUPAC5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol
SMILESCC(N)C(O)c1cc(O)c(F)c(Br)c1
InChIInChI=1S/C9H11BrFNO2/c1-4(12)9(14)5-2-6(10)8(11)7(13)3-5/h2-4,9,13-14H,12H2,1H3
InChIKeyJJENRDDOTDHDSA-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.67
Rot. Bonds2

About 5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol

5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol (PubChem CID 84807316) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol.

Molecular Properties

Compound Name5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol
PubChem CID84807316
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol
SMILESCC(N)C(O)c1cc(O)c(F)c(Br)c1
InChIInChI=1S/C9H11BrFNO2/c1-4(12)9(14)5-2-6(10)8(11)7(13)3-5/h2-4,9,13-14H,12H2,1H3
InChIKeyJJENRDDOTDHDSA-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol?
The IUPAC name of 5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol (CID 84807316) is 5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol.
What is the SMILES notation for 5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol?
The canonical SMILES for 5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol is CC(N)C(O)c1cc(O)c(F)c(Br)c1.
What is the InChIKey of 5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol?
The InChIKey is JJENRDDOTDHDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-4(12)9(14)5-2-6(10)8(11)7(13)3-5/h2-4,9,13-14H,12H2,1H3.
What are the key properties of 5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol?
5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol has a molecular weight of 264.09 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol is sourced from PubChem (CID 84807316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).