1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol

C10H12BrFN2O2 — CID 106667362

IUPAC1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol
SMILESNc1cc(F)c(Br)cc1N1CC(O)C(O)C1
InChIInChI=1S/C10H12BrFN2O2/c11-5-1-8(7(13)2-6(5)12)14-3-9(15)10(16)4-14/h1-2,9-10,15-16H,3-4,13H2
InChIKeySVZQAFUPNZPBHE-UHFFFAOYSA-N
MW291.12 g/mol
LogP0.71
Rot. Bonds1

About 1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol

1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol (PubChem CID 106667362) has the molecular formula C10H12BrFN2O2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol
PubChem CID106667362
Molecular FormulaC10H12BrFN2O2
Molecular Weight291.12 g/mol
Exact Mass290.01
IUPAC Name1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol
SMILESNc1cc(F)c(Br)cc1N1CC(O)C(O)C1
InChIInChI=1S/C10H12BrFN2O2/c11-5-1-8(7(13)2-6(5)12)14-3-9(15)10(16)4-14/h1-2,9-10,15-16H,3-4,13H2
InChIKeySVZQAFUPNZPBHE-UHFFFAOYSA-N
XLogP0.71
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol
CID 116735284
4-bromo-5-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 116735269
5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline
CID 66110674
1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol
CID 106667409
2-(3-azabicyclo[3.3.1]nonan-3-yl)-5-bromo-4-fluoroaniline
CID 114196247
4-bromo-5-fluoro-2-(3-propylpyrrolidin-1-yl)aniline
CID 116736254
4-bromo-2-(4-cyclopentylpiperazin-1-yl)-5-fluoroaniline
CID 116735846
4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline
CID 116735520
7-(2-amino-5-bromo-4-fluorophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 116736084
2-(2-amino-5-bromo-4-fluorophenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 116736184
2-(azocan-1-yl)-5-bromo-4-fluoroaniline
CID 66110484
4-bromo-5-fluoro-2-(4-propan-2-ylazepan-1-yl)aniline
CID 116735995

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol (CID 106667362) is 1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol is Nc1cc(F)c(Br)cc1N1CC(O)C(O)C1.
What is the InChIKey of 1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol?
The InChIKey is SVZQAFUPNZPBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2/c11-5-1-8(7(13)2-6(5)12)14-3-9(15)10(16)4-14/h1-2,9-10,15-16H,3-4,13H2.
What are the key properties of 1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol?
1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol has a molecular weight of 291.12 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106667362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).