4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol

C9H11BrFNO3 — CID 84811684

IUPAC4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol
SMILESNCCC(O)c1cc(Br)c(O)c(F)c1O
InChIInChI=1S/C9H11BrFNO3/c10-5-3-4(6(13)1-2-12)8(14)7(11)9(5)15/h3,6,13-15H,1-2,12H2
InChIKeyVHDWUYNYGOSGHV-UHFFFAOYSA-N
MW280.09 g/mol
LogP1.38
Rot. Bonds3

About 4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol

4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol (PubChem CID 84811684) has the molecular formula C9H11BrFNO3 and a molecular weight of 280.09 g/mol. Its IUPAC name is 4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol
PubChem CID84811684
Molecular FormulaC9H11BrFNO3
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol
SMILESNCCC(O)c1cc(Br)c(O)c(F)c1O
InChIInChI=1S/C9H11BrFNO3/c10-5-3-4(6(13)1-2-12)8(14)7(11)9(5)15/h3,6,13-15H,1-2,12H2
InChIKeyVHDWUYNYGOSGHV-UHFFFAOYSA-N
XLogP1.38
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminopropan-2-yl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84807304
3-amino-1-(5-bromo-2-fluoro-4-methoxyphenyl)propan-1-ol
CID 84714748
2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol
CID 84711168
3-bromo-6-[(1R)-1,3-diaminopropyl]-2-fluorophenol
CID 130815027
3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84810969
2-bromo-6-[(1R)-1,3-diaminopropyl]-4-fluorophenol;hydrochloride
CID 171257029
3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
CID 84788316
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
2-(2-amino-1-hydroxyethyl)-4-bromo-3,6-difluorophenol
CID 117423608
3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
CID 81116743
CID 87630182
CID 87630182

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol?
The IUPAC name of 4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol (CID 84811684) is 4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol?
The canonical SMILES for 4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol is NCCC(O)c1cc(Br)c(O)c(F)c1O.
What is the InChIKey of 4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol?
The InChIKey is VHDWUYNYGOSGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO3/c10-5-3-4(6(13)1-2-12)8(14)7(11)9(5)15/h3,6,13-15H,1-2,12H2.
What are the key properties of 4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol?
4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol has a molecular weight of 280.09 g/mol, XLogP of 1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol is sourced from PubChem (CID 84811684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).