3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one

C19H12BrClF3NO — CID 142452788

IUPAC3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(-c2ccccc2Cl)cc(Br)c1=O
InChIInChI=1S/C19H12BrClF3NO/c1-2-25-18(17-15(23)7-10(22)8-16(17)24)12(9-13(20)19(25)26)11-5-3-4-6-14(11)21/h3-9H,2H2,1H3
InChIKeyQICYFTBCCMNPRB-UHFFFAOYSA-N
MW442.66 g/mol
LogP6.04
Rot. Bonds3

About 3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one

3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one (PubChem CID 142452788) has the molecular formula C19H12BrClF3NO and a molecular weight of 442.66 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
PubChem CID142452788
Molecular FormulaC19H12BrClF3NO
Molecular Weight442.66 g/mol
Exact Mass440.97
IUPAC Name3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(-c2ccccc2Cl)cc(Br)c1=O
InChIInChI=1S/C19H12BrClF3NO/c1-2-25-18(17-15(23)7-10(22)8-16(17)24)12(9-13(20)19(25)26)11-5-3-4-6-14(11)21/h3-9H,2H2,1H3
InChIKeyQICYFTBCCMNPRB-UHFFFAOYSA-N
XLogP6.04
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.66
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-chloro-3-(2-chlorophenyl)-1-ethyl-6-oxo-2-pyridinyl]-3,5-difluorobenzonitrile
CID 142452779
5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 142452805
5-bromo-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde
CID 151827830
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
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-[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-chloro-5-[3-(dimethylamino)prop-2-enoyl]-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452921
3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142496618
3-chloro-5-(2-chloro-3-pyridinyl)-1-ethyl-6-(4-fluorophenyl)pyridin-2-one
CID 142405829
3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one
CID 142452813

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one (CID 142452788) is 3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one is CCn1c(-c2c(F)cc(F)cc2F)c(-c2ccccc2Cl)cc(Br)c1=O.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The InChIKey is QICYFTBCCMNPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClF3NO/c1-2-25-18(17-15(23)7-10(22)8-16(17)24)12(9-13(20)19(25)26)11-5-3-4-6-14(11)21/h3-9H,2H2,1H3.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one?
3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one has a molecular weight of 442.66 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one is sourced from PubChem (CID 142452788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).