3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one

C23H19BrF4N2O3 — CID 22051155

IUPAC3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2F)cc(CN2CCOCC2)n1-c1c(F)cccc1F
InChIInChI=1S/C23H19BrF4N2O3/c24-21-20(33-13-14-4-5-15(25)10-19(14)28)11-16(12-29-6-8-32-9-7-29)30(23(21)31)22-17(26)2-1-3-18(22)27/h1-5,10-11H,6-9,12-13H2
InChIKeyVOHOPAKYZONLJH-UHFFFAOYSA-N
MW527.31 g/mol
LogP4.57
Rot. Bonds6

About 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one

3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one (PubChem CID 22051155) has the molecular formula C23H19BrF4N2O3 and a molecular weight of 527.31 g/mol. Its IUPAC name is 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one
PubChem CID22051155
Molecular FormulaC23H19BrF4N2O3
Molecular Weight527.31 g/mol
Exact Mass526.05
IUPAC Name3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2F)cc(CN2CCOCC2)n1-c1c(F)cccc1F
InChIInChI=1S/C23H19BrF4N2O3/c24-21-20(33-13-14-4-5-15(25)10-19(14)28)11-16(12-29-6-8-32-9-7-29)30(23(21)31)22-17(26)2-1-3-18(22)27/h1-5,10-11H,6-9,12-13H2
InChIKeyVOHOPAKYZONLJH-UHFFFAOYSA-N
XLogP4.57
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 10151273
CID 10151273
CID 22049899
CID 22049899
CID 22050098
CID 22050098
CID 22050143
CID 22050143
CID 22050354
CID 22050354
CID 22050423
CID 22050423
CID 22050426
CID 22050426
CID 22050450
CID 22050450
CID 22050521
CID 22050521
CID 22050722
CID 22050722
CID 22050760
CID 22050760
CID 22050837
CID 22050837

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one (CID 22051155) is 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one is O=c1c(Br)c(OCc2ccc(F)cc2F)cc(CN2CCOCC2)n1-c1c(F)cccc1F.
What is the InChIKey of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one?
The InChIKey is VOHOPAKYZONLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrF4N2O3/c24-21-20(33-13-14-4-5-15(25)10-19(14)28)11-16(12-29-6-8-32-9-7-29)30(23(21)31)22-17(26)2-1-3-18(22)27/h1-5,10-11H,6-9,12-13H2.
What are the key properties of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one?
3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one has a molecular weight of 527.31 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(morpholin-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 22051155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).