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

C32H31ClF6N2O2 — CID 158808152

IUPAC3-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
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(C(C)C)cc(Cl)c1=O.CCn1c(-c2c(F)cc(F)cc2F)c(C(C)C)ccc1=O
InChIInChI=1S/C16H15ClF3NO.C16H16F3NO/c1-4-21-15(10(8(2)3)7-11(17)16(21)22)14-12(19)5-9(18)6-13(14)20;1-4-20-14(21)6-5-11(9(2)3)16(20)15-12(18)7-10(17)8-13(15)19/h5-8H,4H2,1-3H3;5-9H,4H2,1-3H3
InChIKeyIUINGGAMPNPTNF-UHFFFAOYSA-N
MW625.05 g/mol
LogP8.81
Rot. Bonds6

About 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

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 (PubChem CID 158808152) has the molecular formula C32H31ClF6N2O2 and a molecular weight of 625.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID158808152
Molecular FormulaC32H31ClF6N2O2
Molecular Weight625.05 g/mol
Exact Mass624.20
IUPAC Name3-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
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(C(C)C)cc(Cl)c1=O.CCn1c(-c2c(F)cc(F)cc2F)c(C(C)C)ccc1=O
InChIInChI=1S/C16H15ClF3NO.C16H16F3NO/c1-4-21-15(10(8(2)3)7-11(17)16(21)22)14-12(19)5-9(18)6-13(14)20;1-4-20-14(21)6-5-11(9(2)3)16(20)15-12(18)7-10(17)8-13(15)19/h5-8H,4H2,1-3H3;5-9H,4H2,1-3H3
InChIKeyIUINGGAMPNPTNF-UHFFFAOYSA-N
XLogP8.81
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.05
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452810
3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one
CID 142452813
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-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142496618
3-chloro-5-[3-(dimethylamino)prop-2-enoyl]-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452921
3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one
CID 146396991
3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452788
4-[5-chloro-3-(2-chlorophenyl)-1-ethyl-6-oxo-2-pyridinyl]-3,5-difluorobenzonitrile
CID 142452779
5-(2-chloro-3,5-difluorophenyl)-1-ethyl-6-(4-fluorophenyl)-3-methylpyridin-2-one
CID 135276093
5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde;5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carboxylic acid
CID 157135187
4-chloro-2-fluoro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;ethane
CID 166121933
5-chloro-2-(2,6-difluoro-4-hydroxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 161120361

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(-c2c(F)cc(F)cc2F)c(C(C)C)cc(Cl)c1=O.CCn1c(-c2c(F)cc(F)cc2F)c(C(C)C)ccc1=O.
What is the InChIKey of 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?
The InChIKey is IUINGGAMPNPTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO.C16H16F3NO/c1-4-21-15(10(8(2)3)7-11(17)16(21)22)14-12(19)5-9(18)6-13(14)20;1-4-20-14(21)6-5-11(9(2)3)16(20)15-12(18)7-10(17)8-13(15)19/h5-8H,4H2,1-3H3;5-9H,4H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 625.05 g/mol, XLogP of 8.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158808152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).