3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine

C9H7ClF3N — CID 169477673

IUPAC3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cncc(C=CCCl)c1
InChIInChI=1S/C9H7ClF3N/c10-3-1-2-7-4-8(6-14-5-7)9(11,12)13/h1-2,4-6H,3H2
InChIKeyPPMVMDZTRXMYBI-UHFFFAOYSA-N
MW221.61 g/mol
LogP3.35
Rot. Bonds2

About 3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine

3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine (PubChem CID 169477673) has the molecular formula C9H7ClF3N and a molecular weight of 221.61 g/mol. Its IUPAC name is 3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine
PubChem CID169477673
Molecular FormulaC9H7ClF3N
Molecular Weight221.61 g/mol
Exact Mass221.02
IUPAC Name3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cncc(C=CCCl)c1
InChIInChI=1S/C9H7ClF3N/c10-3-1-2-7-4-8(6-14-5-7)9(11,12)13/h1-2,4-6H,3H2
InChIKeyPPMVMDZTRXMYBI-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine (CID 169477673) is 3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cncc(C=CCCl)c1.
What is the InChIKey of 3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine?
The InChIKey is PPMVMDZTRXMYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N/c10-3-1-2-7-4-8(6-14-5-7)9(11,12)13/h1-2,4-6H,3H2.
What are the key properties of 3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine?
3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine has a molecular weight of 221.61 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroprop-1-enyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 169477673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).