2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one

C19H14ClF4NO — CID 144875639

About 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one

2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one (PubChem CID 144875639) has the molecular formula C19H14ClF4NO and a molecular weight of 383.77 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one.

Molecular Properties

• Compound Name: 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one
• PubChem CID: 144875639
• Molecular Formula: C19H14ClF4NO
• Molecular Weight: 383.77 g/mol
• Exact Mass: 383.07
• IUPAC Name: 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one
• SMILES: C=C/C(F)=C(\C=C)Cn1ccc(=O)cc1-c1cccc(C(F)(F)F)c1Cl
• InChI: InChI=1S/C19H14ClF4NO/c1-3-12(16(21)4-2)11-25-9-8-13(26)10-17(25)14-6-5-7-15(18(14)20)19(22,23)24/h3-10H,1-2,11H2/b16-12-
• InChIKey: CETINPMAKDPUFD-VBKFSLOCSA-N
• XLogP: 5.78
• TPSA: 22.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.77
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one?

The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one (CID 144875639) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one.

What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one?

The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one is C=C/C(F)=C(\C=C)Cn1ccc(=O)cc1-c1cccc(C(F)(F)F)c1Cl.

What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one?

The InChIKey is CETINPMAKDPUFD-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H14ClF4NO/c1-3-12(16(21)4-2)11-25-9-8-13(26)10-17(25)14-6-5-7-15(18(14)20)19(22,23)24/h3-10H,1-2,11H2/b16-12-.

What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one?

2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one has a molecular weight of 383.77 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]pyridin-4-one is sourced from PubChem (CID 144875639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).