2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one

C19H12ClF2NO — CID 170368866

IUPAC2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one
SMILESC=C(c1ccccc1)c1cc(=O)cc(-c2cc(Cl)c(F)cc2F)[nH]1
InChIInChI=1S/C19H12ClF2NO/c1-11(12-5-3-2-4-6-12)18-7-13(24)8-19(23-18)14-9-15(20)17(22)10-16(14)21/h2-10H,1H2,(H,23,24)
InChIKeySZYUUFPHDBESHB-UHFFFAOYSA-N
MW343.76 g/mol
LogP5.03
Rot. Bonds3

About 2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one

2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one (PubChem CID 170368866) has the molecular formula C19H12ClF2NO and a molecular weight of 343.76 g/mol. Its IUPAC name is 2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one
PubChem CID170368866
Molecular FormulaC19H12ClF2NO
Molecular Weight343.76 g/mol
Exact Mass343.06
IUPAC Name2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one
SMILESC=C(c1ccccc1)c1cc(=O)cc(-c2cc(Cl)c(F)cc2F)[nH]1
InChIInChI=1S/C19H12ClF2NO/c1-11(12-5-3-2-4-6-12)18-7-13(24)8-19(23-18)14-9-15(20)17(22)10-16(14)21/h2-10H,1H2,(H,23,24)
InChIKeySZYUUFPHDBESHB-UHFFFAOYSA-N
XLogP5.03
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.76
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one?
The IUPAC name of 2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one (CID 170368866) is 2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one is C=C(c1ccccc1)c1cc(=O)cc(-c2cc(Cl)c(F)cc2F)[nH]1.
What is the InChIKey of 2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one?
The InChIKey is SZYUUFPHDBESHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2NO/c1-11(12-5-3-2-4-6-12)18-7-13(24)8-19(23-18)14-9-15(20)17(22)10-16(14)21/h2-10H,1H2,(H,23,24).
What are the key properties of 2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one?
2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one has a molecular weight of 343.76 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-difluorophenyl)-6-(1-phenylethenyl)-1H-pyridin-4-one is sourced from PubChem (CID 170368866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).