3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one

C15H15Br2F2NO3 — CID 153451001

IUPAC3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
SMILESCOCOc1ccc(C2=CCC(Br)C(=O)N2CC(F)F)c(Br)c1
InChIInChI=1S/C15H15Br2F2NO3/c1-22-8-23-9-2-3-10(12(17)6-9)13-5-4-11(16)15(21)20(13)7-14(18)19/h2-3,5-6,11,14H,4,7-8H2,1H3
InChIKeyQZUHQBGPADCZJN-UHFFFAOYSA-N
MW455.09 g/mol
LogP4.03
Rot. Bonds6

About 3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one

3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one (PubChem CID 153451001) has the molecular formula C15H15Br2F2NO3 and a molecular weight of 455.09 g/mol. Its IUPAC name is 3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
PubChem CID153451001
Molecular FormulaC15H15Br2F2NO3
Molecular Weight455.09 g/mol
Exact Mass452.94
IUPAC Name3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
SMILESCOCOc1ccc(C2=CCC(Br)C(=O)N2CC(F)F)c(Br)c1
InChIInChI=1S/C15H15Br2F2NO3/c1-22-8-23-9-2-3-10(12(17)6-9)13-5-4-11(16)15(21)20(13)7-14(18)19/h2-3,5-6,11,14H,4,7-8H2,1H3
InChIKeyQZUHQBGPADCZJN-UHFFFAOYSA-N
XLogP4.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.09
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
CID 153450917
3-bromo-1-(2,2-difluoroethyl)-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451057
1-(2,2-difluoroethyl)-6-(4-ethoxy-2-methylphenyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451404
1-(2,2-difluoroethyl)-6-[2,6-difluoro-4-(methoxymethoxy)phenyl]-3-iodo-3,4-dihydropyridin-2-one
CID 153450545
3-bromo-6-(4-but-2-ynoxyphenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
CID 153451323
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]pyridin-2-one
CID 158395133
3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451288
3-chloro-1-(2,2-difluoroethyl)-6-(2-methyl-4-prop-2-enoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451558
3-bromo-6-(2-bromo-4-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153450717
3-chloro-1-ethyl-6-[4-(methoxymethoxy)-2-methylphenyl]-3,4-dihydropyridin-2-one
CID 153451275
1-(2,2-difluoroethyl)-3-iodo-6-(2-methyl-4-prop-2-ynoxyphenyl)-3,4-dihydropyridin-2-one
CID 153451508
3-chloro-6-[2-chloro-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451621

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one (CID 153451001) is 3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one is COCOc1ccc(C2=CCC(Br)C(=O)N2CC(F)F)c(Br)c1.
What is the InChIKey of 3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one?
The InChIKey is QZUHQBGPADCZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2F2NO3/c1-22-8-23-9-2-3-10(12(17)6-9)13-5-4-11(16)15(21)20(13)7-14(18)19/h2-3,5-6,11,14H,4,7-8H2,1H3.
What are the key properties of 3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one?
3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one has a molecular weight of 455.09 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[2-bromo-4-(methoxymethoxy)phenyl]-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 153451001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).