6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol

C9H10BrF2NO2 — CID 131429576

IUPAC6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol
SMILESN[C@H](CCO)c1cc(Br)c(F)c(F)c1O
InChIInChI=1S/C9H10BrF2NO2/c10-5-3-4(6(13)1-2-14)9(15)8(12)7(5)11/h3,6,14-15H,1-2,13H2/t6-/m1/s1
InChIKeyGHZASVMMPDNKFE-ZCFIWIBFSA-N
MW282.08 g/mol
LogP1.82
Rot. Bonds3

About 6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol

6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol (PubChem CID 131429576) has the molecular formula C9H10BrF2NO2 and a molecular weight of 282.08 g/mol. Its IUPAC name is 6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol.

Molecular Properties

Compound Name6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol
PubChem CID131429576
Molecular FormulaC9H10BrF2NO2
Molecular Weight282.08 g/mol
Exact Mass280.99
IUPAC Name6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol
SMILESN[C@H](CCO)c1cc(Br)c(F)c(F)c1O
InChIInChI=1S/C9H10BrF2NO2/c10-5-3-4(6(13)1-2-14)9(15)8(12)7(5)11/h3,6,14-15H,1-2,13H2/t6-/m1/s1
InChIKeyGHZASVMMPDNKFE-ZCFIWIBFSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171257013
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol
CID 130664393
6-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-bromo-2,3-difluorophenol
CID 171257945
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
3-amino-3-(5-bromo-2,4-dimethylphenyl)propan-1-ol
CID 84805874
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
4-amino-4-(5-bromo-2,3-difluoro-4-hydroxyphenyl)butanoic acid
CID 117494611
3-bromo-6-[(1R)-1,3-diaminopropyl]-2-fluorophenol
CID 130815027
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 130804227
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
2-[(1S)-1-amino-3-hydroxypropyl]-5-bromo-4-chlorophenol
CID 130751961

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol?
The IUPAC name of 6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol (CID 131429576) is 6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol.
What is the SMILES notation for 6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol?
The canonical SMILES for 6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol is N[C@H](CCO)c1cc(Br)c(F)c(F)c1O.
What is the InChIKey of 6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol?
The InChIKey is GHZASVMMPDNKFE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10BrF2NO2/c10-5-3-4(6(13)1-2-14)9(15)8(12)7(5)11/h3,6,14-15H,1-2,13H2/t6-/m1/s1.
What are the key properties of 6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol?
6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol has a molecular weight of 282.08 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol is sourced from PubChem (CID 131429576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).