5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one

C9H9N5O3 — CID 169462319

IUPAC5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one
SMILESCc1c(C=CCN=[N+]=[N-])c[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O3/c1-6-7(3-2-4-12-13-10)5-11-9(15)8(6)14(16)17/h2-3,5H,4H2,1H3,(H,11,15)
InChIKeyFOTGWGRYPOFODK-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.92
Rot. Bonds4

About 5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one

5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one (PubChem CID 169462319) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one
PubChem CID169462319
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one
SMILESCc1c(C=CCN=[N+]=[N-])c[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O3/c1-6-7(3-2-4-12-13-10)5-11-9(15)8(6)14(16)17/h2-3,5H,4H2,1H3,(H,11,15)
InChIKeyFOTGWGRYPOFODK-UHFFFAOYSA-N
XLogP1.92
TPSA124.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

1-(3-azidoprop-1-enyl)-3,5-difluoro-2-nitrobenzene
CID 169462362
2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline
CID 169462309
2-(3-azidoprop-1-enyl)-6-methyl-4-nitroaniline
CID 169462307
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene
CID 169462162
2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene
CID 169462122
1-(3-azidoprop-1-enyl)-2-chloro-4-methoxy-5-nitrobenzene
CID 169462596
4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline
CID 169462312
3-(3-azidoprop-1-enyl)-5-nitropyridin-2-amine
CID 169462185
methyl 2-(3-azidoprop-1-enyl)-5-nitrobenzoate
CID 169462624
5-(4-azidobut-1-enyl)-1H-pyrimidine-2,4-dione
CID 170484938
1-(3-azidoprop-1-enyl)-2-chloro-4-fluoro-3-methylbenzene
CID 169461587

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one?
The IUPAC name of 5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one (CID 169462319) is 5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one is Cc1c(C=CCN=[N+]=[N-])c[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one?
The InChIKey is FOTGWGRYPOFODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-6-7(3-2-4-12-13-10)5-11-9(15)8(6)14(16)17/h2-3,5H,4H2,1H3,(H,11,15).
What are the key properties of 5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one?
5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one has a molecular weight of 235.20 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 169462319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).