argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one

C20H14ArClF3N2O4 — CID 161152145

IUPACargon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one
SMILESCc1[nH]c(C=NO)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl.[Ar]
InChIInChI=1S/C20H14ClF3N2O4.Ar/c1-11-18(21)19(27)17(16(26-11)10-25-28)12-2-4-13(5-3-12)29-14-6-8-15(9-7-14)30-20(22,23)24;/h2-10,28H,1H3,(H,26,27);
InChIKeyUOVAUORIHPDYSV-UHFFFAOYSA-N
MW478.74 g/mol
LogP5.50
Rot. Bonds5

About argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one

argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one (PubChem CID 161152145) has the molecular formula C20H14ArClF3N2O4 and a molecular weight of 478.74 g/mol. Its IUPAC name is argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one.

Molecular Properties

Compound Nameargon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one
PubChem CID161152145
Molecular FormulaC20H14ArClF3N2O4
Molecular Weight478.74 g/mol
Exact Mass478.02
IUPAC Nameargon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one
SMILESCc1[nH]c(C=NO)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl.[Ar]
InChIInChI=1S/C20H14ClF3N2O4.Ar/c1-11-18(21)19(27)17(16(26-11)10-25-28)12-2-4-13(5-3-12)29-14-6-8-15(9-7-14)30-20(22,23)24;/h2-10,28H,1H3,(H,26,27);
InChIKeyUOVAUORIHPDYSV-UHFFFAOYSA-N
XLogP5.50
TPSA83.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.74
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one?
The IUPAC name of argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one (CID 161152145) is argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one.
What is the SMILES notation for argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one?
The canonical SMILES for argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one is Cc1[nH]c(C=NO)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Cl.[Ar].
What is the InChIKey of argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one?
The InChIKey is UOVAUORIHPDYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O4.Ar/c1-11-18(21)19(27)17(16(26-11)10-25-28)12-2-4-13(5-3-12)29-14-6-8-15(9-7-14)30-20(22,23)24;/h2-10,28H,1H3,(H,26,27);.
What are the key properties of argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one?
argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one has a molecular weight of 478.74 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for argon;5-chloro-2-(hydroxyiminomethyl)-6-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyridin-4-one is sourced from PubChem (CID 161152145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).