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

C10H13BrN4O4 — CID 104506067

IUPAC4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide
SMILESCc1c([N+](=O)[O-])cn(CCCC(=O)NN)c(=O)c1Br
InChIInChI=1S/C10H13BrN4O4/c1-6-7(15(18)19)5-14(10(17)9(6)11)4-2-3-8(16)13-12/h5H,2-4,12H2,1H3,(H,13,16)
InChIKeyJYDYAKTVDMFDCJ-UHFFFAOYSA-N
MW333.14 g/mol
LogP0.60
Rot. Bonds5

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

4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide (PubChem CID 104506067) has the molecular formula C10H13BrN4O4 and a molecular weight of 333.14 g/mol. Its IUPAC name is 4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide.

Molecular Properties

Compound Name4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide
PubChem CID104506067
Molecular FormulaC10H13BrN4O4
Molecular Weight333.14 g/mol
Exact Mass332.01
IUPAC Name4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide
SMILESCc1c([N+](=O)[O-])cn(CCCC(=O)NN)c(=O)c1Br
InChIInChI=1S/C10H13BrN4O4/c1-6-7(15(18)19)5-14(10(17)9(6)11)4-2-3-8(16)13-12/h5H,2-4,12H2,1H3,(H,13,16)
InChIKeyJYDYAKTVDMFDCJ-UHFFFAOYSA-N
XLogP0.60
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 50.60
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

3-bromo-1-(5-chloropentyl)-4-methyl-5-nitropyridin-2-one
CID 104505601
3-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-2,2-dimethylpropanehydrazide
CID 104506066
2-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)-N-(2-hydroxyethyl)acetamide
CID 104505947
6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide
CID 104506054
6-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)hexanehydrazide
CID 66310054
3-bromo-1-(2,2-dimethyl-3-sulfanylpropyl)-4-methyl-5-nitropyridin-2-one
CID 113420348
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
3-bromo-4-methyl-1-[3-methyl-2-(sulfanylmethyl)butyl]-5-nitropyridin-2-one
CID 104506101
4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide
CID 114761608
4-(4,5-dimethylimidazol-1-yl)butanehydrazide
CID 63577264
5-(4,5-dichloro-2-nitrophenoxy)pentanehydrazide
CID 107501706
4-(3-ethyl-2-oxoimidazol-1-yl)butanehydrazide
CID 80582721

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide?
The IUPAC name of 4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide (CID 104506067) is 4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide.
What is the SMILES notation for 4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide?
The canonical SMILES for 4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide is Cc1c([N+](=O)[O-])cn(CCCC(=O)NN)c(=O)c1Br.
What is the InChIKey of 4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide?
The InChIKey is JYDYAKTVDMFDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O4/c1-6-7(15(18)19)5-14(10(17)9(6)11)4-2-3-8(16)13-12/h5H,2-4,12H2,1H3,(H,13,16).
What are the key properties of 4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide?
4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide has a molecular weight of 333.14 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide is sourced from PubChem (CID 104506067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).