2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine

C15H11ClF3NO — CID 173075524

IUPAC2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine
SMILESFC(F)(F)Oc1ccc(C=CCc2cccnc2Cl)cc1
InChIInChI=1S/C15H11ClF3NO/c16-14-12(5-2-10-20-14)4-1-3-11-6-8-13(9-7-11)21-15(17,18)19/h1-3,5-10H,4H2
InChIKeyDADSOWNSJZUWNW-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.89
Rot. Bonds4

About 2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine

2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine (PubChem CID 173075524) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is 2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine
PubChem CID173075524
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC Name2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine
SMILESFC(F)(F)Oc1ccc(C=CCc2cccnc2Cl)cc1
InChIInChI=1S/C15H11ClF3NO/c16-14-12(5-2-10-20-14)4-1-3-11-6-8-13(9-7-11)21-15(17,18)19/h1-3,5-10H,4H2
InChIKeyDADSOWNSJZUWNW-UHFFFAOYSA-N
XLogP4.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine?
The IUPAC name of 2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine (CID 173075524) is 2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine.
What is the SMILES notation for 2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine?
The canonical SMILES for 2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine is FC(F)(F)Oc1ccc(C=CCc2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine?
The InChIKey is DADSOWNSJZUWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c16-14-12(5-2-10-20-14)4-1-3-11-6-8-13(9-7-11)21-15(17,18)19/h1-3,5-10H,4H2.
What are the key properties of 2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine?
2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine has a molecular weight of 313.71 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]pyridine is sourced from PubChem (CID 173075524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).