5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one

C33H23Cl2F6IN6O2 — CID 157074543

IUPAC5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Cl)cn2)cc(C)c1=O.CCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Cl)cn2)cc(I)c1=O
InChIInChI=1S/C17H13ClF3N3O.C16H10ClF3IN3O/c1-3-23-16(15-12(20)5-11(19)6-13(15)21)14(4-9(2)17(23)25)24-8-10(18)7-22-24;1-2-23-15(14-10(19)3-9(18)4-11(14)20)13(5-12(21)16(23)25)24-7-8(17)6-22-24/h4-8H,3H2,1-2H3;3-7H,2H2,1H3
InChIKeyACUYDXNEJCEPGP-UHFFFAOYSA-N
MW847.38 g/mol
LogP8.50
Rot. Bonds6

About 5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one

5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one (PubChem CID 157074543) has the molecular formula C33H23Cl2F6IN6O2 and a molecular weight of 847.38 g/mol. Its IUPAC name is 5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
PubChem CID157074543
Molecular FormulaC33H23Cl2F6IN6O2
Molecular Weight847.38 g/mol
Exact Mass846.02
IUPAC Name5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Cl)cn2)cc(C)c1=O.CCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Cl)cn2)cc(I)c1=O
InChIInChI=1S/C17H13ClF3N3O.C16H10ClF3IN3O/c1-3-23-16(15-12(20)5-11(19)6-13(15)21)14(4-9(2)17(23)25)24-8-10(18)7-22-24;1-2-23-15(14-10(19)3-9(18)4-11(14)20)13(5-12(21)16(23)25)24-7-8(17)6-22-24/h4-8H,3H2,1-2H3;3-7H,2H2,1H3
InChIKeyACUYDXNEJCEPGP-UHFFFAOYSA-N
XLogP8.50
TPSA79.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.38
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one with MolForge

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Related Compounds

5-(4-bromopyrazol-1-yl)-3-chloro-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-bromopyrazol-1-yl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 157320223
3-chloro-5-(4-chloropyrazol-1-yl)-6-(2,6-difluoro-4-hydroxyphenyl)-1-ethylpyridin-2-one;[4-[5-chloro-3-(4-chloropyrazol-1-yl)-1-ethyl-6-oxo-2-pyridinyl]-3,5-difluorophenyl] acetate
CID 157418801
3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142496618
3-chloro-1-ethyl-5-propan-2-yl-6-(2,4,6-trifluorophenyl)pyridin-2-one;1-ethyl-5-propan-2-yl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 158808152
5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one
CID 135276093
3-chloro-5-[3-(dimethylamino)prop-2-enoyl]-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452921
N-[[4-(4-chloropyrazol-1-yl)-3-fluorophenyl]methyl]ethanamine
CID 54909733
3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452788
3-[5-chloro-1-ethyl-6-oxo-2-(2,4,6-trifluorophenyl)-3-pyridinyl]-5-methyl-1,2-oxazole-4-carbaldehyde
CID 142496601
3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452810
3-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
CID 114862486
2-[4-(4-chloropyrazol-1-yl)-3-methylphenyl]ethanamine
CID 63815374

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The IUPAC name of 5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one (CID 157074543) is 5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one.
What is the SMILES notation for 5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The canonical SMILES for 5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one is CCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Cl)cn2)cc(C)c1=O.CCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Cl)cn2)cc(I)c1=O.
What is the InChIKey of 5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The InChIKey is ACUYDXNEJCEPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O.C16H10ClF3IN3O/c1-3-23-16(15-12(20)5-11(19)6-13(15)21)14(4-9(2)17(23)25)24-8-10(18)7-22-24;1-2-23-15(14-10(19)3-9(18)4-11(14)20)13(5-12(21)16(23)25)24-7-8(17)6-22-24/h4-8H,3H2,1-2H3;3-7H,2H2,1H3.
What are the key properties of 5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one?
5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one has a molecular weight of 847.38 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one is sourced from PubChem (CID 157074543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).