3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide

C13H12N4O4 — CID 82992768

IUPAC3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(Cn2ccc(=O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H12N4O4/c14-15-13(19)10-3-1-2-9(6-10)7-16-5-4-12(18)11(8-16)17(20)21/h1-6,8H,7,14H2,(H,15,19)
InChIKeyGECSQOPPLALJOW-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.41
Rot. Bonds4

About 3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide

3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide (PubChem CID 82992768) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide
PubChem CID82992768
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(Cn2ccc(=O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H12N4O4/c14-15-13(19)10-3-1-2-9(6-10)7-16-5-4-12(18)11(8-16)17(20)21/h1-6,8H,7,14H2,(H,15,19)
InChIKeyGECSQOPPLALJOW-UHFFFAOYSA-N
XLogP0.41
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.41
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-(pyrrol-1-ylmethyl)benzohydrazide
CID 100793873
3-[(4-chloro-3-nitropyrazol-1-yl)methyl]benzohydrazide
CID 7022236
6-[(3-nitro-4-oxo-1-pyridinyl)methyl]pyridine-3-carboxylic acid
CID 82990548
3-[(2,5-dimethylpyrrol-1-yl)methyl]benzohydrazide
CID 100793902
3-[(4-oxopiperidin-1-yl)methyl]benzohydrazide
CID 63573220
3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63579248
3-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63579069
3,5-dinitro-1-[(3-nitrophenyl)methyl]pyridin-4-one
CID 125114610
1-(5-bromopentyl)-3-nitropyridin-4-one
CID 82992283
3-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63810746
3-prop-2-enylbenzohydrazide
CID 20555786
3-[(5-bromo-2,4-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 63777633

Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide?
The IUPAC name of 3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide (CID 82992768) is 3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide.
What is the SMILES notation for 3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide?
The canonical SMILES for 3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide is NNC(=O)c1cccc(Cn2ccc(=O)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide?
The InChIKey is GECSQOPPLALJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c14-15-13(19)10-3-1-2-9(6-10)7-16-5-4-12(18)11(8-16)17(20)21/h1-6,8H,7,14H2,(H,15,19).
What are the key properties of 3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide?
3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide has a molecular weight of 288.26 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-nitro-4-oxo-1-pyridinyl)methyl]benzohydrazide is sourced from PubChem (CID 82992768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).