2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid

C12H7N3O6 — CID 175535252

IUPAC2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
InChIInChI=1S/C12H7N3O6/c16-12(17)7-3-4-13-10(5-7)9-2-1-8(14(18)19)6-11(9)15(20)21/h1-6H,(H,16,17)
InChIKeyLGOPUHBMXNNIKN-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.26
Rot. Bonds4

About 2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid

2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid (PubChem CID 175535252) has the molecular formula C12H7N3O6 and a molecular weight of 289.20 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid
PubChem CID175535252
Molecular FormulaC12H7N3O6
Molecular Weight289.20 g/mol
Exact Mass289.03
IUPAC Name2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
InChIInChI=1S/C12H7N3O6/c16-12(17)7-3-4-13-10(5-7)9-2-1-8(14(18)19)6-11(9)15(20)21/h1-6H,(H,16,17)
InChIKeyLGOPUHBMXNNIKN-UHFFFAOYSA-N
XLogP2.26
TPSA136.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid (CID 175535252) is 2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1.
What is the InChIKey of 2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid?
The InChIKey is LGOPUHBMXNNIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O6/c16-12(17)7-3-4-13-10(5-7)9-2-1-8(14(18)19)6-11(9)15(20)21/h1-6H,(H,16,17).
What are the key properties of 2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid?
2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid has a molecular weight of 289.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 175535252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).