3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid

C9H8BrFO4 — CID 170825035

IUPAC3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cc(F)ccc1Br
InChIInChI=1S/C9H8BrFO4/c10-6-2-1-4(11)3-5(6)7(12)8(13)9(14)15/h1-3,7-8,12-13H,(H,14,15)
InChIKeySPPMPLUMXOKISK-UHFFFAOYSA-N
MW279.06 g/mol
LogP1.07
Rot. Bonds3

About 3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid

3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid (PubChem CID 170825035) has the molecular formula C9H8BrFO4 and a molecular weight of 279.06 g/mol. Its IUPAC name is 3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid
PubChem CID170825035
Molecular FormulaC9H8BrFO4
Molecular Weight279.06 g/mol
Exact Mass277.96
IUPAC Name3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1cc(F)ccc1Br
InChIInChI=1S/C9H8BrFO4/c10-6-2-1-4(11)3-5(6)7(12)8(13)9(14)15/h1-3,7-8,12-13H,(H,14,15)
InChIKeySPPMPLUMXOKISK-UHFFFAOYSA-N
XLogP1.07
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.06
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-5-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878755
2-(2-bromo-5-fluorophenyl)-2-sulfanylacetic acid
CID 122206817
3-(2-cyano-5-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170824004
ethyl 2-[(2-bromo-5-fluorophenyl)-hydroxymethyl]butanoate
CID 114078036
2-amino-1-(2-bromo-5-fluorophenyl)ethanol
CID 83714678
3-[2-(aminomethyl)-4-fluorophenyl]-2,3-dihydroxypropanoic acid
CID 170823976
(1S)-1-(2-bromo-5-fluorophenyl)propan-1-ol
CID 103920536
1-(2-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 66461487
methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884
1-(2-bromo-5-fluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171875172
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-(aminomethyl)-1-(2-bromo-5-fluorophenyl)-3-methylbutan-1-ol
CID 65185842

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid (CID 170825035) is 3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1cc(F)ccc1Br.
What is the InChIKey of 3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid?
The InChIKey is SPPMPLUMXOKISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO4/c10-6-2-1-4(11)3-5(6)7(12)8(13)9(14)15/h1-3,7-8,12-13H,(H,14,15).
What are the key properties of 3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid?
3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid has a molecular weight of 279.06 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-fluorophenyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170825035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).