6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide

C11H15BrN4O4 — CID 104506054

IUPAC6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide
SMILESNNC(=O)CCCCCn1cc([N+](=O)[O-])cc(Br)c1=O
InChIInChI=1S/C11H15BrN4O4/c12-9-6-8(16(19)20)7-15(11(9)18)5-3-1-2-4-10(17)14-13/h6-7H,1-5,13H2,(H,14,17)
InChIKeyVQUWNYRCAFFONV-UHFFFAOYSA-N
MW347.17 g/mol
LogP1.07
Rot. Bonds7

About 6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide

6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide (PubChem CID 104506054) has the molecular formula C11H15BrN4O4 and a molecular weight of 347.17 g/mol. Its IUPAC name is 6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide.

Molecular Properties

Compound Name6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide
PubChem CID104506054
Molecular FormulaC11H15BrN4O4
Molecular Weight347.17 g/mol
Exact Mass346.03
IUPAC Name6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide
SMILESNNC(=O)CCCCCn1cc([N+](=O)[O-])cc(Br)c1=O
InChIInChI=1S/C11H15BrN4O4/c12-9-6-8(16(19)20)7-15(11(9)18)5-3-1-2-4-10(17)14-13/h6-7H,1-5,13H2,(H,14,17)
InChIKeyVQUWNYRCAFFONV-UHFFFAOYSA-N
XLogP1.07
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-1-(4-hydroxybutyl)-5-nitropyridin-2-one
CID 104505940
3-bromo-5-nitro-1-(5-sulfanylpentyl)pyridin-2-one
CID 113420344
3-bromo-5-nitro-1-(4-sulfanylbutyl)pyridin-2-one
CID 104506088
3-bromo-5-nitro-1-[2-(propylamino)ethyl]pyridin-2-one
CID 113420333
4-(3-bromo-4-methyl-5-nitro-2-oxo-1-pyridinyl)butanehydrazide
CID 104506067
5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 104506056
4-(2,6-dibromo-4-nitrophenoxy)butanehydrazide
CID 55212631
3-bromo-1-[2-(cyclopropylamino)ethyl]-5-nitropyridin-2-one
CID 113420334
3-bromo-5-nitro-1-(2-oxobutyl)pyridin-2-one
CID 115687189
ethyl 2-(3-bromo-5-nitro-2-oxo-1-pyridinyl)acetate
CID 112699852
4-(3-bromo-2-oxo-1-pyridinyl)butanehydrazide
CID 114761608
5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbaldehyde
CID 104505923

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide?
The IUPAC name of 6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide (CID 104506054) is 6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide.
What is the SMILES notation for 6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide?
The canonical SMILES for 6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide is NNC(=O)CCCCCn1cc([N+](=O)[O-])cc(Br)c1=O.
What is the InChIKey of 6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide?
The InChIKey is VQUWNYRCAFFONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O4/c12-9-6-8(16(19)20)7-15(11(9)18)5-3-1-2-4-10(17)14-13/h6-7H,1-5,13H2,(H,14,17).
What are the key properties of 6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide?
6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide has a molecular weight of 347.17 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-nitro-2-oxo-1-pyridinyl)hexanehydrazide is sourced from PubChem (CID 104506054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).