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

C32H21Br2ClF6N6O2 — CID 157320223

IUPAC5-(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
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Br)cn2)cc(Cl)c1=O.CCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Br)cn2)ccc1=O
InChIInChI=1S/C16H10BrClF3N3O.C16H11BrF3N3O/c1-2-23-15(14-11(20)3-9(19)4-12(14)21)13(5-10(18)16(23)25)24-7-8(17)6-22-24;1-2-22-14(24)4-3-13(23-8-9(17)7-21-23)16(22)15-11(19)5-10(18)6-12(15)20/h3-7H,2H2,1H3;3-8H,2H2,1H3
InChIKeyBEBOYBLDBGFRNJ-UHFFFAOYSA-N
MW830.81 g/mol
LogP8.45
Rot. Bonds6

About 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

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 (PubChem CID 157320223) has the molecular formula C32H21Br2ClF6N6O2 and a molecular weight of 830.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID157320223
Molecular FormulaC32H21Br2ClF6N6O2
Molecular Weight830.81 g/mol
Exact Mass827.97
IUPAC Name5-(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
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Br)cn2)cc(Cl)c1=O.CCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Br)cn2)ccc1=O
InChIInChI=1S/C16H10BrClF3N3O.C16H11BrF3N3O/c1-2-23-15(14-11(20)3-9(19)4-12(14)21)13(5-10(18)16(23)25)24-7-8(17)6-22-24;1-2-22-14(24)4-3-13(23-8-9(17)7-21-23)16(22)15-11(19)5-10(18)6-12(15)20/h3-7H,2H2,1H3;3-8H,2H2,1H3
InChIKeyBEBOYBLDBGFRNJ-UHFFFAOYSA-N
XLogP8.45
TPSA79.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.81
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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-5-[3-(dimethylamino)prop-2-enoyl]-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452921
3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452788
3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452810
3-[5-chloro-1-ethyl-6-oxo-2-(2,4,6-trifluorophenyl)-3-pyridinyl]-5-methyl-1,2-oxazole-4-carbaldehyde
CID 142496601
N-[[4-(4-bromopyrazol-1-yl)-3-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 81149762
4-(4-bromopyrazol-1-yl)-3-fluoropyridine
CID 118450422
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-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride
CID 90482951
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CID 54909608

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Br)cn2)cc(Cl)c1=O.CCn1c(-c2c(F)cc(F)cc2F)c(-n2cc(Br)cn2)ccc1=O.
What is the InChIKey of 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?
The InChIKey is BEBOYBLDBGFRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClF3N3O.C16H11BrF3N3O/c1-2-23-15(14-11(20)3-9(19)4-12(14)21)13(5-10(18)16(23)25)24-7-8(17)6-22-24;1-2-22-14(24)4-3-13(23-8-9(17)7-21-23)16(22)15-11(19)5-10(18)6-12(15)20/h3-7H,2H2,1H3;3-8H,2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 830.81 g/mol, XLogP of 8.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157320223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).