3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide

C11H15BrN4O4 — CID 104506066

IUPAC3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide
SMILESCc1c([N+](=O)[O-])cn(CC(C)(C)C(=O)NN)c(=O)c1Br
InChIInChI=1S/C11H15BrN4O4/c1-6-7(16(19)20)4-15(9(17)8(6)12)5-11(2,3)10(18)14-13/h4H,5,13H2,1-3H3,(H,14,18)
InChIKeyXKFHCEPGOAHDLD-UHFFFAOYSA-N
MW347.17 g/mol
LogP0.84
Rot. Bonds4

About 3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide

3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide (PubChem CID 104506066) has the molecular formula C11H15BrN4O4 and a molecular weight of 347.17 g/mol. Its IUPAC name is 3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide
PubChem CID104506066
Molecular FormulaC11H15BrN4O4
Molecular Weight347.17 g/mol
Exact Mass346.03
IUPAC Name3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide
SMILESCc1c([N+](=O)[O-])cn(CC(C)(C)C(=O)NN)c(=O)c1Br
InChIInChI=1S/C11H15BrN4O4/c1-6-7(16(19)20)4-15(9(17)8(6)12)5-11(2,3)10(18)14-13/h4H,5,13H2,1-3H3,(H,14,18)
InChIKeyXKFHCEPGOAHDLD-UHFFFAOYSA-N
XLogP0.84
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide
CID 104506067
3-bromo-1-(2,2-dimethyl-3-sulfanylpropyl)-4-methyl-5-nitropyridin-2-one
CID 113420348
3-bromo-1-(5-chloropentyl)-4-methyl-5-nitropyridin-2-one
CID 104505601
2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide
CID 104505947
3-bromo-4-methyl-1-[3-methyl-2-(sulfanylmethyl)butyl]-5-nitropyridin-2-one
CID 104506101
3-bromo-1-[(4-chloro-2-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 104505634
3-bromo-1-[[5-(ethylamino)thiadiazol-4-yl]methyl]-4-methyl-5-nitropyridin-2-one
CID 104506027
2,2-dimethyl-3-(5-methyl-2-oxopyrimidin-1-yl)propanehydrazide
CID 79631373
2,2-dimethyl-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanehydrazide
CID 79631179
5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 104505641
3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 104858447
3-(4-bromo-2-nitroanilino)-2,2-dimethylpropanamide
CID 103620231

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide (CID 104506066) is 3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide is Cc1c([N+](=O)[O-])cn(CC(C)(C)C(=O)NN)c(=O)c1Br.
What is the InChIKey of 3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide?
The InChIKey is XKFHCEPGOAHDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O4/c1-6-7(16(19)20)4-15(9(17)8(6)12)5-11(2,3)10(18)14-13/h4H,5,13H2,1-3H3,(H,14,18).
What are the key properties of 3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide?
3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide has a molecular weight of 347.17 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 104506066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).