2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine

C8H4Cl2F3N — CID 86664620

IUPAC2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
SMILESC=C(c1cc(Cl)nc(Cl)c1)C(F)(F)F
InChIInChI=1S/C8H4Cl2F3N/c1-4(8(11,12)13)5-2-6(9)14-7(10)3-5/h2-3H,1H2
InChIKeyUXTQQHLQEMOMOY-UHFFFAOYSA-N
MW242.03 g/mol
LogP3.96
Rot. Bonds1

About 2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine

2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine (PubChem CID 86664620) has the molecular formula C8H4Cl2F3N and a molecular weight of 242.03 g/mol. Its IUPAC name is 2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
PubChem CID86664620
Molecular FormulaC8H4Cl2F3N
Molecular Weight242.03 g/mol
Exact Mass240.97
IUPAC Name2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine
SMILESC=C(c1cc(Cl)nc(Cl)c1)C(F)(F)F
InChIInChI=1S/C8H4Cl2F3N/c1-4(8(11,12)13)5-2-6(9)14-7(10)3-5/h2-3H,1H2
InChIKeyUXTQQHLQEMOMOY-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
The IUPAC name of 2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine (CID 86664620) is 2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine.
What is the SMILES notation for 2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
The canonical SMILES for 2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine is C=C(c1cc(Cl)nc(Cl)c1)C(F)(F)F.
What is the InChIKey of 2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
The InChIKey is UXTQQHLQEMOMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F3N/c1-4(8(11,12)13)5-2-6(9)14-7(10)3-5/h2-3H,1H2.
What are the key properties of 2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine?
2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine has a molecular weight of 242.03 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine is sourced from PubChem (CID 86664620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).