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

C19H12BrF4NO3 — CID 22049899

IUPAC3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2F)cc(CO)n1-c1c(F)cccc1F
InChIInChI=1S/C19H12BrF4NO3/c20-17-16(28-9-10-4-5-11(21)6-15(10)24)7-12(8-26)25(19(17)27)18-13(22)2-1-3-14(18)23/h1-7,26H,8-9H2
InChIKeyDGKNVUBVVYMFQC-UHFFFAOYSA-N
MW458.21 g/mol
LogP4.23
Rot. Bonds5

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

3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one (PubChem CID 22049899) has the molecular formula C19H12BrF4NO3 and a molecular weight of 458.21 g/mol. Its IUPAC name is 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one
PubChem CID22049899
Molecular FormulaC19H12BrF4NO3
Molecular Weight458.21 g/mol
Exact Mass456.99
IUPAC Name3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one
SMILESO=c1c(Br)c(OCc2ccc(F)cc2F)cc(CO)n1-c1c(F)cccc1F
InChIInChI=1S/C19H12BrF4NO3/c20-17-16(28-9-10-4-5-11(21)6-15(10)24)7-12(8-26)25(19(17)27)18-13(22)2-1-3-14(18)23/h1-7,26H,8-9H2
InChIKeyDGKNVUBVVYMFQC-UHFFFAOYSA-N
XLogP4.23
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one (CID 22049899) is 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one is O=c1c(Br)c(OCc2ccc(F)cc2F)cc(CO)n1-c1c(F)cccc1F.
What is the InChIKey of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one?
The InChIKey is DGKNVUBVVYMFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrF4NO3/c20-17-16(28-9-10-4-5-11(21)6-15(10)24)7-12(8-26)25(19(17)27)18-13(22)2-1-3-14(18)23/h1-7,26H,8-9H2.
What are the key properties of 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one?
3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one has a molecular weight of 458.21 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,6-difluorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-(hydroxymethyl)pyridin-2-one is sourced from PubChem (CID 22049899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).