2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine

C9H7F3N4 — CID 169462089

IUPAC2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=NCC=Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)7-3-5-14-8(6-7)2-1-4-15-16-13/h1-3,5-6H,4H2
InChIKeySMGIABOQJWMWIN-UHFFFAOYSA-N
MW228.18 g/mol
LogP3.42
Rot. Bonds3

About 2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine

2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine (PubChem CID 169462089) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine
PubChem CID169462089
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=NCC=Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)7-3-5-14-8(6-7)2-1-4-15-16-13/h1-3,5-6H,4H2
InChIKeySMGIABOQJWMWIN-UHFFFAOYSA-N
XLogP3.42
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(3-azidoprop-1-enyl)-1-methyl-4-(trifluoromethyl)benzene
CID 169462191
S-[4-[4-(trifluoromethyl)-2-pyridinyl]but-3-enyl] ethanethioate
CID 170480494
3-(3-azidoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde
CID 169462541
1-(3-azidoprop-1-enyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 169462199
3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide
CID 169482100
2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid
CID 169462111
4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine
CID 169462799
5-(3-azidoprop-1-enyl)-2-fluoropyridine
CID 169461269
5-(3-azidoprop-1-enyl)pyrazin-2-amine
CID 169461316
5-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 169462392
5-(3-azidoprop-1-enyl)-2-(trifluoromethoxy)aniline
CID 169462590
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine (CID 169462089) is 2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine is [N-]=[N+]=NCC=Cc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine?
The InChIKey is SMGIABOQJWMWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)7-3-5-14-8(6-7)2-1-4-15-16-13/h1-3,5-6H,4H2.
What are the key properties of 2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine?
2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine has a molecular weight of 228.18 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 169462089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).