3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine

C8H5ClF3N — CID 23380592

IUPAC3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine
SMILESC=Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF3N/c1-2-7-6(9)3-5(4-13-7)8(10,11)12/h2-4H,1H2
InChIKeyPTBOBEMIYGCEAP-UHFFFAOYSA-N
MW207.58 g/mol
LogP3.40
Rot. Bonds1

About 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine

3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine (PubChem CID 23380592) has the molecular formula C8H5ClF3N and a molecular weight of 207.58 g/mol. Its IUPAC name is 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine
PubChem CID23380592
Molecular FormulaC8H5ClF3N
Molecular Weight207.58 g/mol
Exact Mass207.01
IUPAC Name3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine
SMILESC=Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H5ClF3N/c1-2-7-6(9)3-5(4-13-7)8(10,11)12/h2-4H,1H2
InChIKeyPTBOBEMIYGCEAP-UHFFFAOYSA-N
XLogP3.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.58
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine (CID 23380592) is 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine is C=Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine?
The InChIKey is PTBOBEMIYGCEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N/c1-2-7-6(9)3-5(4-13-7)8(10,11)12/h2-4H,1H2.
What are the key properties of 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine?
3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine has a molecular weight of 207.58 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 23380592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).