5-nitro-6-phenylpyridine-3-carboxylic acid

C12H8N2O4 — CID 54285965

IUPAC5-nitro-6-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8N2O4/c15-12(16)9-6-10(14(17)18)11(13-7-9)8-4-2-1-3-5-8/h1-7H,(H,15,16)
InChIKeyRUDCFRSBBYLBKM-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.36
Rot. Bonds3

About 5-nitro-6-phenylpyridine-3-carboxylic acid

5-nitro-6-phenylpyridine-3-carboxylic acid (PubChem CID 54285965) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-nitro-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-nitro-6-phenylpyridine-3-carboxylic acid
PubChem CID54285965
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name5-nitro-6-phenylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8N2O4/c15-12(16)9-6-10(14(17)18)11(13-7-9)8-4-2-1-3-5-8/h1-7H,(H,15,16)
InChIKeyRUDCFRSBBYLBKM-UHFFFAOYSA-N
XLogP2.36
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 5-nitro-6-phenylpyridine-3-carboxylic acid (CID 54285965) is 5-nitro-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-nitro-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 5-nitro-6-phenylpyridine-3-carboxylic acid is O=C(O)c1cnc(-c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-nitro-6-phenylpyridine-3-carboxylic acid?
The InChIKey is RUDCFRSBBYLBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c15-12(16)9-6-10(14(17)18)11(13-7-9)8-4-2-1-3-5-8/h1-7H,(H,15,16).
What are the key properties of 5-nitro-6-phenylpyridine-3-carboxylic acid?
5-nitro-6-phenylpyridine-3-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 54285965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).