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

C13H14N4O3 — CID 63172395

IUPAC1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2ccc(NN)c([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C13H14N4O3/c1-9-3-2-6-16(13(9)18)8-10-4-5-11(15-14)12(7-10)17(19)20/h2-7,15H,8,14H2,1H3
InChIKeyJUNNUOHCRGZGMK-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.40
Rot. Bonds4

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

1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one (PubChem CID 63172395) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one
PubChem CID63172395
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one
SMILESCc1cccn(Cc2ccc(NN)c([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C13H14N4O3/c1-9-3-2-6-16(13(9)18)8-10-4-5-11(15-14)12(7-10)17(19)20/h2-7,15H,8,14H2,1H3
InChIKeyJUNNUOHCRGZGMK-UHFFFAOYSA-N
XLogP1.40
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.40
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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Related Compounds

1-[[4-(ethylamino)-3-nitrophenyl]methyl]-3-methylpyridin-2-one
CID 63172349
1-[(4-hydrazinyl-3-nitrophenyl)methyl]pyridin-2-one
CID 62246151
3-[(4-hydrazinyl-3-nitrophenyl)methyl]-4-methyl-1,3-thiazol-2-one
CID 55050806
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
CID 62245555
1-[(4-amino-3-nitrophenyl)methyl]-3-bromopyridin-2-one
CID 114761473
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-2-one
CID 62245598
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
CID 63172505
2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
CID 105352210
3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63579248
1-[[3-nitro-4-(propylamino)phenyl]methyl]pyrimidin-2-one
CID 62207614

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one (CID 63172395) is 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one is Cc1cccn(Cc2ccc(NN)c([N+](=O)[O-])c2)c1=O.
What is the InChIKey of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one?
The InChIKey is JUNNUOHCRGZGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9-3-2-6-16(13(9)18)8-10-4-5-11(15-14)12(7-10)17(19)20/h2-7,15H,8,14H2,1H3.
What are the key properties of 1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one?
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-3-methylpyridin-2-one has a molecular weight of 274.28 g/mol, XLogP of 1.40, 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]-3-methylpyridin-2-one is sourced from PubChem (CID 63172395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).