1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one

C12H12N4O3 — CID 62246151

IUPAC1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one
SMILESNNc1ccc(Cn2ccccc2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O3/c13-14-10-5-4-9(7-11(10)16(18)19)8-15-6-2-1-3-12(15)17/h1-7,14H,8,13H2
InChIKeyGHMLOBDEJYGSLK-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.09
Rot. Bonds4

About 1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one

1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one (PubChem CID 62246151) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one
PubChem CID62246151
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one
SMILESNNc1ccc(Cn2ccccc2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O3/c13-14-10-5-4-9(7-11(10)16(18)19)8-15-6-2-1-3-12(15)17/h1-7,14H,8,13H2
InChIKeyGHMLOBDEJYGSLK-UHFFFAOYSA-N
XLogP1.09
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one (CID 62246151) is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one is NNc1ccc(Cn2ccccc2=O)cc1[N+](=O)[O-].
What is the InChIKey of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one?
The InChIKey is GHMLOBDEJYGSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c13-14-10-5-4-9(7-11(10)16(18)19)8-15-6-2-1-3-12(15)17/h1-7,14H,8,13H2.
What are the key properties of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one?
1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one has a molecular weight of 260.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 62246151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).