[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate

C15H12N4O6 — CID 8900963

IUPAC[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O6/c20-13(9-25-15(22)12-3-1-2-8-16-12)17-18-14(21)10-4-6-11(7-5-10)19(23)24/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyKBWAHVHLQKIQEW-UHFFFAOYSA-N
MW344.28 g/mol
LogP0.61
Rot. Bonds5

About [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate

[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 8900963) has the molecular formula C15H12N4O6 and a molecular weight of 344.28 g/mol. Its IUPAC name is [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID8900963
Molecular FormulaC15H12N4O6
Molecular Weight344.28 g/mol
Exact Mass344.08
IUPAC Name[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O6/c20-13(9-25-15(22)12-3-1-2-8-16-12)17-18-14(21)10-4-6-11(7-5-10)19(23)24/h1-8H,9H2,(H,17,20)(H,18,21)
InChIKeyKBWAHVHLQKIQEW-UHFFFAOYSA-N
XLogP0.61
TPSA140.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate (CID 8900963) is [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is KBWAHVHLQKIQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O6/c20-13(9-25-15(22)12-3-1-2-8-16-12)17-18-14(21)10-4-6-11(7-5-10)19(23)24/h1-8H,9H2,(H,17,20)(H,18,21).
What are the key properties of [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate?
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 344.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 8900963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).