2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol

C9H11BrFNO2 — CID 84711168

IUPAC2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol
SMILESNCCC(O)c1c(F)ccc(Br)c1O
InChIInChI=1S/C9H11BrFNO2/c10-5-1-2-6(11)8(9(5)14)7(13)3-4-12/h1-2,7,13-14H,3-4,12H2
InChIKeyWQXOMTDIBHADRT-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.68
Rot. Bonds3

About 2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol

2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol (PubChem CID 84711168) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol.

Molecular Properties

Compound Name2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol
PubChem CID84711168
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol
SMILESNCCC(O)c1c(F)ccc(Br)c1O
InChIInChI=1S/C9H11BrFNO2/c10-5-1-2-6(11)8(9(5)14)7(13)3-4-12/h1-2,7,13-14H,3-4,12H2
InChIKeyWQXOMTDIBHADRT-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutan-2-yl)-6-bromo-3-fluorophenol
CID 117409448
2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-fluorophenol
CID 130934021
3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
CID 84806995
2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol
CID 84671264
2-(3-amino-1-hydroxypropyl)-3-fluorobenzene-1,4-diol
CID 84776107
2-[(1R)-1-amino-3-methylbutyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256863
4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84811684
1-(3-bromo-2,6-difluorophenyl)decan-1-ol
CID 106945067
3-bromo-6-fluorobenzene-1,2-diol
CID 45093034
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
3-bromo-6-[(1R)-1,3-diaminopropyl]-2-fluorophenol
CID 130815027

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol?
The IUPAC name of 2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol (CID 84711168) is 2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol.
What is the SMILES notation for 2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol?
The canonical SMILES for 2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol is NCCC(O)c1c(F)ccc(Br)c1O.
What is the InChIKey of 2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol?
The InChIKey is WQXOMTDIBHADRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c10-5-1-2-6(11)8(9(5)14)7(13)3-4-12/h1-2,7,13-14H,3-4,12H2.
What are the key properties of 2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol?
2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol has a molecular weight of 264.09 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol is sourced from PubChem (CID 84711168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).