N'-(3-nitro-4-pyridinyl)acetohydrazide

C7H8N4O3 — CID 3851780

IUPACN'-(3-nitro-4-pyridinyl)acetohydrazide
SMILESCC(=O)NNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C7H8N4O3/c1-5(12)9-10-6-2-3-8-4-7(6)11(13)14/h2-4H,1H3,(H,8,10)(H,9,12)
InChIKeyMZXDFFGWNNDJEP-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.45
Rot. Bonds3

About N'-(3-nitro-4-pyridinyl)acetohydrazide

N'-(3-nitro-4-pyridinyl)acetohydrazide (PubChem CID 3851780) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is N'-(3-nitro-4-pyridinyl)acetohydrazide.

Molecular Properties

Compound NameN'-(3-nitro-4-pyridinyl)acetohydrazide
PubChem CID3851780
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC NameN'-(3-nitro-4-pyridinyl)acetohydrazide
SMILESCC(=O)NNc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C7H8N4O3/c1-5(12)9-10-6-2-3-8-4-7(6)11(13)14/h2-4H,1H3,(H,8,10)(H,9,12)
InChIKeyMZXDFFGWNNDJEP-UHFFFAOYSA-N
XLogP0.45
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylprop-2-enyl)-3-nitropyridin-4-amine
CID 114617697
1-[4-[(3-nitro-4-pyridinyl)amino]phenyl]ethanone;hydrochloride
CID 19791282
[4-[(3-nitro-4-pyridinyl)amino]phenyl]methyl acetate
CID 150736325
[4-[(3-nitro-4-pyridinyl)amino]phenyl] acetate
CID 67910376
N-(3-nitro-4-pyridinyl)formamide
CID 174895660
N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide
CID 54950233
methyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 59465527
methyl 3-hydroxy-2-[(3-nitro-4-pyridinyl)amino]propanoate
CID 62005492
2-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]propanoic acid
CID 64668069
2-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 43500161
N-(3-nitro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 28889726
2-[(3-nitro-4-pyridinyl)amino]-1-phenylethanone
CID 91754130

Frequently Asked Questions

What is the IUPAC name of N'-(3-nitro-4-pyridinyl)acetohydrazide?
The IUPAC name of N'-(3-nitro-4-pyridinyl)acetohydrazide (CID 3851780) is N'-(3-nitro-4-pyridinyl)acetohydrazide.
What is the SMILES notation for N'-(3-nitro-4-pyridinyl)acetohydrazide?
The canonical SMILES for N'-(3-nitro-4-pyridinyl)acetohydrazide is CC(=O)NNc1ccncc1[N+](=O)[O-].
What is the InChIKey of N'-(3-nitro-4-pyridinyl)acetohydrazide?
The InChIKey is MZXDFFGWNNDJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c1-5(12)9-10-6-2-3-8-4-7(6)11(13)14/h2-4H,1H3,(H,8,10)(H,9,12).
What are the key properties of N'-(3-nitro-4-pyridinyl)acetohydrazide?
N'-(3-nitro-4-pyridinyl)acetohydrazide has a molecular weight of 196.17 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-nitro-4-pyridinyl)acetohydrazide is sourced from PubChem (CID 3851780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).