3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one

C15H13BrF3NO — CID 58110681

IUPAC3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
SMILESC[C@@H](c1ccc(F)cc1)n1cc(C(C)(F)F)cc(Br)c1=O
InChIInChI=1S/C15H13BrF3NO/c1-9(10-3-5-12(17)6-4-10)20-8-11(15(2,18)19)7-13(16)14(20)21/h3-9H,1-2H3/t9-/m0/s1
InChIKeyHDCGKZILALMIBI-VIFPVBQESA-N
MW360.17 g/mol
LogP4.47
Rot. Bonds3

About 3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one

3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one (PubChem CID 58110681) has the molecular formula C15H13BrF3NO and a molecular weight of 360.17 g/mol. Its IUPAC name is 3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
PubChem CID58110681
Molecular FormulaC15H13BrF3NO
Molecular Weight360.17 g/mol
Exact Mass359.01
IUPAC Name3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one
SMILESC[C@@H](c1ccc(F)cc1)n1cc(C(C)(F)F)cc(Br)c1=O
InChIInChI=1S/C15H13BrF3NO/c1-9(10-3-5-12(17)6-4-10)20-8-11(15(2,18)19)7-13(16)14(20)21/h3-9H,1-2H3/t9-/m0/s1
InChIKeyHDCGKZILALMIBI-VIFPVBQESA-N
XLogP4.47
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-bromo-2,5-dihydro-1H-pyrrole-2,5-dione
CID 15628904
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]ethan-1-one
CID 10357373
5-chloro-1-(2-fluorobenzyl)-2(1H)-pyridinone
CID 901046
1-[[4-(Trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 44568432
2(1H)-Pyridinone,1-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-
CID 45793147
1-(2-fluorobenzyl)-5-(trifluoromethyl)pyridin-2(1H)-one
CID 45838451
2(1H)-Pyridinone,1-(phenylmethyl)-5-(trifluoromethyl)-
CID 57398350
1-Benzyl-3-bromo-5-methyl-1,2-dihydropyridin-2-one
CID 84317757
1-(2-fluorobenzyl)pyridin-2(1H)-one
CID 664770
1-[(4-Fluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 45868338
1-Benzyl-4-bromo-5-(dibromomethylidene)pyrrol-2-one
CID 122194270
3-Amino-5-bromo-1-[(4-fluorophenyl)methyl]-4-methylpyridin-2-one
CID 164625023

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
The IUPAC name of 3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one (CID 58110681) is 3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one is C[C@@H](c1ccc(F)cc1)n1cc(C(C)(F)F)cc(Br)c1=O.
What is the InChIKey of 3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
The InChIKey is HDCGKZILALMIBI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13BrF3NO/c1-9(10-3-5-12(17)6-4-10)20-8-11(15(2,18)19)7-13(16)14(20)21/h3-9H,1-2H3/t9-/m0/s1.
What are the key properties of 3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one?
3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one has a molecular weight of 360.17 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1,1-difluoroethyl)-1-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-one is sourced from PubChem (CID 58110681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).