1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one

C12H13N5O3 — CID 79355556

IUPAC1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
SMILESCc1cc(=O)n(Cc2cccnc2NN)cc1[N+](=O)[O-]
InChIInChI=1S/C12H13N5O3/c1-8-5-11(18)16(7-10(8)17(19)20)6-9-3-2-4-14-12(9)15-13/h2-5,7H,6,13H2,1H3,(H,14,15)
InChIKeyVMRCSCLHKVLDJS-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.79
Rot. Bonds4

About 1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one

1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one (PubChem CID 79355556) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one.

Molecular Properties

Compound Name1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
PubChem CID79355556
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
SMILESCc1cc(=O)n(Cc2cccnc2NN)cc1[N+](=O)[O-]
InChIInChI=1S/C12H13N5O3/c1-8-5-11(18)16(7-10(8)17(19)20)6-9-3-2-4-14-12(9)15-13/h2-5,7H,6,13H2,1H3,(H,14,15)
InChIKeyVMRCSCLHKVLDJS-UHFFFAOYSA-N
XLogP0.79
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 79355238
[3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 63184291
1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one
CID 63172479
1-[(6-amino-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 79355034
[3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62470161
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
5-[(4-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 79351546
1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-propylimidazol-2-one
CID 80582560
[3-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 103099247
5-[(2-hydrazinyl-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446794
1-(2-chloroethyl)-4-methyl-5-nitropyridin-2-one
CID 79355843
3-bromo-1-[(2-hydrazinyl-3-pyridinyl)methyl]pyridin-2-one
CID 114761524

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one?
The IUPAC name of 1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one (CID 79355556) is 1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one.
What is the SMILES notation for 1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one?
The canonical SMILES for 1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one is Cc1cc(=O)n(Cc2cccnc2NN)cc1[N+](=O)[O-].
What is the InChIKey of 1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one?
The InChIKey is VMRCSCLHKVLDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-8-5-11(18)16(7-10(8)17(19)20)6-9-3-2-4-14-12(9)15-13/h2-5,7H,6,13H2,1H3,(H,14,15).
What are the key properties of 1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one?
1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one has a molecular weight of 275.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one is sourced from PubChem (CID 79355556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).