(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid

C8H6BrNO5 — CID 131418621

IUPAC(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H6BrNO5/c9-4-1-2-5(7(11)8(12)13)6(3-4)10(14)15/h1-3,7,11H,(H,12,13)/t7-/m1/s1
InChIKeyMGARFLARGOYPMP-SSDOTTSWSA-N
MW276.04 g/mol
LogP1.48
Rot. Bonds3

About (2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid

(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid (PubChem CID 131418621) has the molecular formula C8H6BrNO5 and a molecular weight of 276.04 g/mol. Its IUPAC name is (2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid
PubChem CID131418621
Molecular FormulaC8H6BrNO5
Molecular Weight276.04 g/mol
Exact Mass274.94
IUPAC Name(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid
SMILESO=C(O)[C@H](O)c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H6BrNO5/c9-4-1-2-5(7(11)8(12)13)6(3-4)10(14)15/h1-3,7,11H,(H,12,13)/t7-/m1/s1
InChIKeyMGARFLARGOYPMP-SSDOTTSWSA-N
XLogP1.48
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dinitrophenyl)-2-hydroxyacetic acid
CID 166610284
1-bromo-1-(4-bromo-2-nitrophenyl)propan-2-one
CID 131270198
1-(4-bromo-2-nitrophenyl)ethyl acetate
CID 174400774
2-[4-(3-bromo-2-oxopropyl)-2-nitrophenyl]-2-hydroxyacetic acid
CID 134657953
1-(4-bromo-2-nitrophenyl)propane-1,2,3-triol
CID 170818974
2-hydroxy-2-[2-nitro-4-(trifluoromethoxy)phenyl]acetic acid
CID 134656084
2-(4,5-dimethyl-2-nitrophenyl)-2-hydroxyacetic acid
CID 118806557
(2S)-2-amino-2-(4-bromo-2-nitrophenyl)ethanol
CID 66515400
3-(4-bromo-2-nitrophenyl)pentan-2-one
CID 63196565
(1S)-1-(4-bromo-2-nitrophenyl)ethane-1,2-diamine
CID 131190762
2-(2-bromo-4-methyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119015806
2-(4-bromo-2-fluoro-6-nitrophenyl)-2-hydroxyacetic acid
CID 118821996

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid (CID 131418621) is (2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid is O=C(O)[C@H](O)c1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid?
The InChIKey is MGARFLARGOYPMP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H6BrNO5/c9-4-1-2-5(7(11)8(12)13)6(3-4)10(14)15/h1-3,7,11H,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid?
(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid has a molecular weight of 276.04 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 131418621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).