1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol

C9H10BrClFNO2 — CID 171860052

IUPAC1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol
SMILESNc1c(Cl)cc(F)cc1C(O)C(O)CBr
InChIInChI=1S/C9H10BrClFNO2/c10-3-7(14)9(15)5-1-4(12)2-6(11)8(5)13/h1-2,7,9,14-15H,3,13H2
InChIKeyDVDWEGZBIINAFS-UHFFFAOYSA-N
MW298.54 g/mol
LogP1.85
Rot. Bonds3

About 1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol

1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol (PubChem CID 171860052) has the molecular formula C9H10BrClFNO2 and a molecular weight of 298.54 g/mol. Its IUPAC name is 1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol
PubChem CID171860052
Molecular FormulaC9H10BrClFNO2
Molecular Weight298.54 g/mol
Exact Mass296.96
IUPAC Name1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol
SMILESNc1c(Cl)cc(F)cc1C(O)C(O)CBr
InChIInChI=1S/C9H10BrClFNO2/c10-3-7(14)9(15)5-1-4(12)2-6(11)8(5)13/h1-2,7,9,14-15H,3,13H2
InChIKeyDVDWEGZBIINAFS-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.54
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-(2-chloro-5-fluorophenyl)propane-1,2-diol
CID 171859545
1-(3-amino-5-fluoro-2-methylphenyl)-3-bromopropane-1,2-diol
CID 171860020
1-(2-amino-3,5-dichlorophenyl)-4-bromobutane-1,2-diol
CID 171892078
3-bromo-1-(2,4,5-trichlorophenyl)propane-1,2-diol
CID 171859795
1-(2,3-diamino-5-fluorophenyl)propane-1,2,3-triol
CID 170817825
3-bromo-1-(4-chloro-2-fluorophenyl)propane-1,2-diol
CID 171859552
1-(3-chloro-5-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
CID 170817813
4-bromo-1-(2,6-dichloro-4-fluorophenyl)butane-1,2-diol
CID 171891823
3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
CID 171859876
1-(3-chloro-5-fluoro-2-hydroxyphenyl)butane-1,2,4-triol
CID 171872255
3-bromo-1-(2-chloro-4-hydroxyphenyl)propane-1,2-diol
CID 171859575
3-bromo-1-(2,4,6-trichlorophenyl)propane-1,2-diol
CID 171861192

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol?
The IUPAC name of 1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol (CID 171860052) is 1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol.
What is the SMILES notation for 1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol?
The canonical SMILES for 1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol is Nc1c(Cl)cc(F)cc1C(O)C(O)CBr.
What is the InChIKey of 1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol?
The InChIKey is DVDWEGZBIINAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFNO2/c10-3-7(14)9(15)5-1-4(12)2-6(11)8(5)13/h1-2,7,9,14-15H,3,13H2.
What are the key properties of 1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol?
1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol has a molecular weight of 298.54 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol is sourced from PubChem (CID 171860052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).