2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid

C12H7BrN2O5 — CID 103009656

IUPAC2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2cc([N+](=O)[O-])ccc2Br)c1
InChIInChI=1S/C12H7BrN2O5/c13-9-2-1-8(15(18)19)6-10(9)20-11-5-7(12(16)17)3-4-14-11/h1-6H,(H,16,17)
InChIKeyXKNRVEQXGDXJQM-UHFFFAOYSA-N
MW339.10 g/mol
LogP3.24
Rot. Bonds4

About 2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid

2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid (PubChem CID 103009656) has the molecular formula C12H7BrN2O5 and a molecular weight of 339.10 g/mol. Its IUPAC name is 2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid
PubChem CID103009656
Molecular FormulaC12H7BrN2O5
Molecular Weight339.10 g/mol
Exact Mass337.95
IUPAC Name2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Oc2cc([N+](=O)[O-])ccc2Br)c1
InChIInChI=1S/C12H7BrN2O5/c13-9-2-1-8(15(18)19)6-10(9)20-11-5-7(12(16)17)3-4-14-11/h1-6H,(H,16,17)
InChIKeyXKNRVEQXGDXJQM-UHFFFAOYSA-N
XLogP3.24
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.10
LogP ≤ 53.24
H-Bond Donors ≤ 51
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-(2-fluoro-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 61038317
2-(2-bromo-5-nitrophenoxy)pyridin-4-amine
CID 114053316
2-(4-bromo-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 65431452
5-(2-bromo-5-nitrophenoxy)pyrazine-2-carboxylic acid
CID 103012898
4-(2-bromo-5-nitrophenoxy)-3-methylbenzoic acid
CID 103009681
5-bromo-2-(2-bromo-5-nitrophenoxy)-4-methylpyridine
CID 103011961
2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 60726441
3-[(4-nitro-2-pyridinyl)oxy]benzoic acid
CID 55207487
3-[(2-bromo-5-nitrophenoxy)methyl]benzoic acid
CID 103009549
(2R)-2-(2-bromo-5-nitrophenoxy)propanoic acid
CID 103338288
[6-(2-bromo-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 103011231
2-(2-bromo-5-nitrophenoxy)-6-chlorobenzoic acid
CID 103010752

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid (CID 103009656) is 2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Oc2cc([N+](=O)[O-])ccc2Br)c1.
What is the InChIKey of 2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid?
The InChIKey is XKNRVEQXGDXJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O5/c13-9-2-1-8(15(18)19)6-10(9)20-11-5-7(12(16)17)3-4-14-11/h1-6H,(H,16,17).
What are the key properties of 2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid?
2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid has a molecular weight of 339.10 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-nitrophenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 103009656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).