2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol

C9H11BrClNO2 — CID 131117949

IUPAC2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol
SMILESN[C@H](CCO)c1c(Cl)ccc(Br)c1O
InChIInChI=1S/C9H11BrClNO2/c10-5-1-2-6(11)8(9(5)14)7(12)3-4-13/h1-2,7,13-14H,3-4,12H2/t7-/m1/s1
InChIKeyFZSFWQLOUAEVLC-SSDOTTSWSA-N
MW280.55 g/mol
LogP2.19
Rot. Bonds3

About 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol

2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol (PubChem CID 131117949) has the molecular formula C9H11BrClNO2 and a molecular weight of 280.55 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol
PubChem CID131117949
Molecular FormulaC9H11BrClNO2
Molecular Weight280.55 g/mol
Exact Mass278.97
IUPAC Name2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol
SMILESN[C@H](CCO)c1c(Cl)ccc(Br)c1O
InChIInChI=1S/C9H11BrClNO2/c10-5-1-2-6(11)8(9(5)14)7(12)3-4-13/h1-2,7,13-14H,3-4,12H2/t7-/m1/s1
InChIKeyFZSFWQLOUAEVLC-SSDOTTSWSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-amino-2-hydroxyethyl]-6-bromo-3-chlorophenol
CID 130950779
2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256337
2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol
CID 131332411
3-amino-3-(2,3,6-trichlorophenyl)propan-1-ol;hydrochloride
CID 170874474
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
CID 171223578
2-[(1S)-1-amino-3-hydroxypropyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253035
(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 130804227
2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256340
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2-hydroxybenzoic acid
CID 171257975
2-[(1R)-1-amino-3-hydroxypropyl]-6-chloro-3-methoxyphenol
CID 171257518

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol?
The IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol (CID 131117949) is 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol.
What is the SMILES notation for 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol?
The canonical SMILES for 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol is N[C@H](CCO)c1c(Cl)ccc(Br)c1O.
What is the InChIKey of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol?
The InChIKey is FZSFWQLOUAEVLC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11BrClNO2/c10-5-1-2-6(11)8(9(5)14)7(12)3-4-13/h1-2,7,13-14H,3-4,12H2/t7-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol?
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol has a molecular weight of 280.55 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol is sourced from PubChem (CID 131117949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).