5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid

C17H11N3O4 — CID 141347626

IUPAC5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccn2)n1
InChIInChI=1S/C17H11N3O4/c21-17(22)15-9-8-13(11-4-6-12(7-5-11)20(23)24)16(19-15)14-3-1-2-10-18-14/h1-10H,(H,21,22)
InChIKeyXGWCJCNKAJWIIX-UHFFFAOYSA-N
MW321.29 g/mol
LogP3.42
Rot. Bonds4

About 5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid

5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid (PubChem CID 141347626) has the molecular formula C17H11N3O4 and a molecular weight of 321.29 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid
PubChem CID141347626
Molecular FormulaC17H11N3O4
Molecular Weight321.29 g/mol
Exact Mass321.07
IUPAC Name5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccn2)n1
InChIInChI=1S/C17H11N3O4/c21-17(22)15-9-8-13(11-4-6-12(7-5-11)20(23)24)16(19-15)14-3-1-2-10-18-14/h1-10H,(H,21,22)
InChIKeyXGWCJCNKAJWIIX-UHFFFAOYSA-N
XLogP3.42
TPSA106.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 53.42
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

3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 102423646
3,6-diphenyl-2-pyridin-2-ylpyridine
CID 11652473
5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 867097
5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 58200580
5,8-diphenyl-2,3-dipyridin-2-ylquinoxaline
CID 58161745
5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 91398479
3-nitro-4-pyridin-2-ylphthalic acid
CID 141140668
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
2-[2-(3-nitrophenyl)ethenyl]pyridine;6-(2-phenylethenyl)pyridine-2-carboxylic acid
CID 174421018
4-nitro-2-pyridin-2-ylbenzenethiol
CID 135604753
4-(5-nitro-2-phenylphenyl)phthalic acid
CID 175116891

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid (CID 141347626) is 5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccn2)n1.
What is the InChIKey of 5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid?
The InChIKey is XGWCJCNKAJWIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O4/c21-17(22)15-9-8-13(11-4-6-12(7-5-11)20(23)24)16(19-15)14-3-1-2-10-18-14/h1-10H,(H,21,22).
What are the key properties of 5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid?
5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid has a molecular weight of 321.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 141347626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).