2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid

C7H5BrN2O5 — CID 118808134

IUPAC2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Br)c([N+](=O)[O-])n1
InChIInChI=1S/C7H5BrN2O5/c8-3-1-2-4(5(11)7(12)13)9-6(3)10(14)15/h1-2,5,11H,(H,12,13)
InChIKeyPYILABNNELVUHK-UHFFFAOYSA-N
MW277.03 g/mol
LogP0.87
Rot. Bonds3

About 2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid

2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid (PubChem CID 118808134) has the molecular formula C7H5BrN2O5 and a molecular weight of 277.03 g/mol. Its IUPAC name is 2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid
PubChem CID118808134
Molecular FormulaC7H5BrN2O5
Molecular Weight277.03 g/mol
Exact Mass275.94
IUPAC Name2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Br)c([N+](=O)[O-])n1
InChIInChI=1S/C7H5BrN2O5/c8-3-1-2-4(5(11)7(12)13)9-6(3)10(14)15/h1-2,5,11H,(H,12,13)
InChIKeyPYILABNNELVUHK-UHFFFAOYSA-N
XLogP0.87
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.03
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-bromo-3-methyl-2-nitrophenyl)-2-hydroxyacetic acid
CID 131370884
2-[6-bromo-3-nitro-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 171000450
(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid
CID 131418621
2-(5-bromo-6-nitro-2-pyridinyl)acetonitrile
CID 131191266
3-bromo-6-methyl-2-nitropyridine;tert-butyl carbamate
CID 174639541
tert-butyl N-(5-bromo-6-nitro-2-pyridinyl)carbamate
CID 56924569
3-bromo-6-nitropyridine-2-carboxylic acid
CID 130773818
2-(2-bromo-4-methyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119015806
3-chloro-1-(5-hydroxy-6-nitro-2-pyridinyl)propane-1,2-diol
CID 171862433
2-[5,6-bis(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
CID 118830529
2-(5-bromo-2-methoxy-4-nitrophenyl)-2-hydroxyacetic acid
CID 171008066
6-(difluoromethyl)-2-nitropyridine-3-carbaldehyde
CID 130097967

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid (CID 118808134) is 2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(Br)c([N+](=O)[O-])n1.
What is the InChIKey of 2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid?
The InChIKey is PYILABNNELVUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O5/c8-3-1-2-4(5(11)7(12)13)9-6(3)10(14)15/h1-2,5,11H,(H,12,13).
What are the key properties of 2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid?
2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid has a molecular weight of 277.03 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-nitro-2-pyridinyl)-2-hydroxyacetic acid is sourced from PubChem (CID 118808134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).