5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine

C8H8N6O2 — CID 169462186

IUPAC5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine
SMILES[N-]=[N+]=NCC=Cc1cnc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8N6O2/c9-8-7(14(15)16)4-6(5-11-8)2-1-3-12-13-10/h1-2,4-5H,3H2,(H2,9,11)
InChIKeyOQPTVDZRQUEMFN-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.90
Rot. Bonds4

About 5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine

5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine (PubChem CID 169462186) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine
PubChem CID169462186
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine
SMILES[N-]=[N+]=NCC=Cc1cnc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8N6O2/c9-8-7(14(15)16)4-6(5-11-8)2-1-3-12-13-10/h1-2,4-5H,3H2,(H2,9,11)
InChIKeyOQPTVDZRQUEMFN-UHFFFAOYSA-N
XLogP1.90
TPSA130.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline
CID 169462312
3-(3-azidoprop-1-enyl)-5-nitropyridin-2-amine
CID 169462185
4-(3-azidoprop-1-enyl)-2-nitrobenzonitrile
CID 169462311
3-(6-amino-5-nitro-3-pyridinyl)prop-2-enal
CID 169459475
5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine
CID 169461419
2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline
CID 169462309
1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene
CID 169462162
1-(3-azidoprop-1-enyl)-2-chloro-4-methoxy-5-nitrobenzene
CID 169462596
6-(3-azidoprop-1-enyl)-1H-pyrazolo[4,5-b]pyridine
CID 169461887
3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine
CID 169461551
2-(3-azidoprop-1-enyl)-6-methyl-4-nitroaniline
CID 169462307
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine?
The IUPAC name of 5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine (CID 169462186) is 5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine is [N-]=[N+]=NCC=Cc1cnc(N)c([N+](=O)[O-])c1.
What is the InChIKey of 5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine?
The InChIKey is OQPTVDZRQUEMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c9-8-7(14(15)16)4-6(5-11-8)2-1-3-12-13-10/h1-2,4-5H,3H2,(H2,9,11).
What are the key properties of 5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine?
5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine has a molecular weight of 220.19 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 169462186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).