2-bromo-2-hydroxypropanoic acid

C3H5BrO3 — CID 88707429

IUPAC2-bromo-2-hydroxypropanoic acid
SMILESCC(O)(Br)C(=O)O
InChIInChI=1S/C3H5BrO3/c1-3(4,7)2(5)6/h7H,1H3,(H,5,6)
InChIKeyFXIHWFULEZIREG-UHFFFAOYSA-N
MW168.97 g/mol
LogP0.17
Rot. Bonds1

About 2-bromo-2-hydroxypropanoic acid

2-bromo-2-hydroxypropanoic acid (PubChem CID 88707429) has the molecular formula C3H5BrO3 and a molecular weight of 168.97 g/mol. Its IUPAC name is 2-bromo-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-bromo-2-hydroxypropanoic acid
PubChem CID88707429
Molecular FormulaC3H5BrO3
Molecular Weight168.97 g/mol
Exact Mass167.94
IUPAC Name2-bromo-2-hydroxypropanoic acid
SMILESCC(O)(Br)C(=O)O
InChIInChI=1S/C3H5BrO3/c1-3(4,7)2(5)6/h7H,1H3,(H,5,6)
InChIKeyFXIHWFULEZIREG-UHFFFAOYSA-N
XLogP0.17
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.97
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-methylpropanoic acid
CID 159388254
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2-bromo-2-chloropropanoic acid
CID 523004
calcium bis(2-bromo-2-hydroxypropanoate)
CID 171059437
2,3-dibromo-2,3-dimethylbutanoic acid
CID 91080552
2,2-dimethylpropanoic acid
CID 87781698
carbonic acid;2-methylpropan-2-ol
CID 87955021
(2S,3R)-2-bromo-3-hydroxy-2,3-dimethyl-4-oxobutanoic acid
CID 101102044
2,2-ditert-butyl-3,3-dimethylbutanoic acid
CID 24975659
2-hydroxypropane-1,1,2-tricarboxylic acid
CID 15842075
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-hydroxypropanoic acid?
The IUPAC name of 2-bromo-2-hydroxypropanoic acid (CID 88707429) is 2-bromo-2-hydroxypropanoic acid.
What is the SMILES notation for 2-bromo-2-hydroxypropanoic acid?
The canonical SMILES for 2-bromo-2-hydroxypropanoic acid is CC(O)(Br)C(=O)O.
What is the InChIKey of 2-bromo-2-hydroxypropanoic acid?
The InChIKey is FXIHWFULEZIREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrO3/c1-3(4,7)2(5)6/h7H,1H3,(H,5,6).
What are the key properties of 2-bromo-2-hydroxypropanoic acid?
2-bromo-2-hydroxypropanoic acid has a molecular weight of 168.97 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-hydroxypropanoic acid is sourced from PubChem (CID 88707429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).