4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine

C9H6ClF3N4 — CID 169462799

IUPAC4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=NCC=Cc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C9H6ClF3N4/c10-8-5-6(2-1-3-15-17-14)4-7(16-8)9(11,12)13/h1-2,4-5H,3H2
InChIKeyOAFHFNBPTWVBOX-UHFFFAOYSA-N
MW262.62 g/mol
LogP4.08
Rot. Bonds3

About 4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine

4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine (PubChem CID 169462799) has the molecular formula C9H6ClF3N4 and a molecular weight of 262.62 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine
PubChem CID169462799
Molecular FormulaC9H6ClF3N4
Molecular Weight262.62 g/mol
Exact Mass262.02
IUPAC Name4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine
SMILES[N-]=[N+]=NCC=Cc1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C9H6ClF3N4/c10-8-5-6(2-1-3-15-17-14)4-7(16-8)9(11,12)13/h1-2,4-5H,3H2
InChIKeyOAFHFNBPTWVBOX-UHFFFAOYSA-N
XLogP4.08
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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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Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine (CID 169462799) is 4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine is [N-]=[N+]=NCC=Cc1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine?
The InChIKey is OAFHFNBPTWVBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4/c10-8-5-6(2-1-3-15-17-14)4-7(16-8)9(11,12)13/h1-2,4-5H,3H2.
What are the key properties of 4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine?
4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine has a molecular weight of 262.62 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)-2-chloro-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 169462799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).