2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride

C9H12BrClFNO2 — CID 171257013

IUPAC2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride
SMILESCl.N[C@H](CCO)c1cc(F)cc(Br)c1O
InChIInChI=1S/C9H11BrFNO2.ClH/c10-7-4-5(11)3-6(9(7)14)8(12)1-2-13;/h3-4,8,13-14H,1-2,12H2;1H/t8-;/m1./s1
InChIKeyODQPOHLKXADQEP-DDWIOCJRSA-N
MW300.56 g/mol
LogP2.10
Rot. Bonds3

About 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride

2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride (PubChem CID 171257013) has the molecular formula C9H12BrClFNO2 and a molecular weight of 300.56 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride
PubChem CID171257013
Molecular FormulaC9H12BrClFNO2
Molecular Weight300.56 g/mol
Exact Mass298.97
IUPAC Name2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride
SMILESCl.N[C@H](CCO)c1cc(F)cc(Br)c1O
InChIInChI=1S/C9H11BrFNO2.ClH/c10-7-4-5(11)3-6(9(7)14)8(12)1-2-13;/h3-4,8,13-14H,1-2,12H2;1H/t8-;/m1./s1
InChIKeyODQPOHLKXADQEP-DDWIOCJRSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 52.10
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-bromo-6-[(1R)-1,3-diaminopropyl]-4-fluorophenol;hydrochloride
CID 171257029
2-[(1R)-1-amino-2-hydroxyethyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253657
2-bromo-6-[(1S)-1,2-diaminoethyl]-4-fluorophenol;hydrochloride
CID 171257019
2-bromo-6-[(1S)-1,2-diaminoethyl]-4-fluorophenol
CID 130699524
2-[(1R)-1-aminopent-4-enyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171257033
6-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2,3-difluorophenol
CID 131429576
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-chlorophenol
CID 130664393
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride
CID 171197693
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-bromo-4-fluorophenol;hydrochloride
CID 171253683
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
2-[(1R)-1-amino-4-hydroxybutyl]-4-fluoro-6-methylphenol;hydrochloride
CID 171205440

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride (CID 171257013) is 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride is Cl.N[C@H](CCO)c1cc(F)cc(Br)c1O.
What is the InChIKey of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride?
The InChIKey is ODQPOHLKXADQEP-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H11BrFNO2.ClH/c10-7-4-5(11)3-6(9(7)14)8(12)1-2-13;/h3-4,8,13-14H,1-2,12H2;1H/t8-;/m1./s1.
What are the key properties of 2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride?
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-4-fluorophenol;hydrochloride has a molecular weight of 300.56 g/mol, XLogP of 2.10, 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-4-fluorophenol;hydrochloride is sourced from PubChem (CID 171257013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).