3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one

C19H16BrFN2O2 — CID 10216193

IUPAC3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1Cc1ccccn1
InChIInChI=1S/C19H16BrFN2O2/c1-13-10-17(25-12-14-5-7-15(21)8-6-14)18(20)19(24)23(13)11-16-4-2-3-9-22-16/h2-10H,11-12H2,1H3
InChIKeyOFGYTNBQKUHLKP-UHFFFAOYSA-N
MW403.25 g/mol
LogP4.08
Rot. Bonds5

About 3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one

3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one (PubChem CID 10216193) has the molecular formula C19H16BrFN2O2 and a molecular weight of 403.25 g/mol. Its IUPAC name is 3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
PubChem CID10216193
Molecular FormulaC19H16BrFN2O2
Molecular Weight403.25 g/mol
Exact Mass402.04
IUPAC Name3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1Cc1ccccn1
InChIInChI=1S/C19H16BrFN2O2/c1-13-10-17(25-12-14-5-7-15(21)8-6-14)18(20)19(24)23(13)11-16-4-2-3-9-22-16/h2-10H,11-12H2,1H3
InChIKeyOFGYTNBQKUHLKP-UHFFFAOYSA-N
XLogP4.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one (CID 10216193) is 3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one is Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1Cc1ccccn1.
What is the InChIKey of 3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one?
The InChIKey is OFGYTNBQKUHLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O2/c1-13-10-17(25-12-14-5-7-15(21)8-6-14)18(20)19(24)23(13)11-16-4-2-3-9-22-16/h2-10H,11-12H2,1H3.
What are the key properties of 3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one?
3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one has a molecular weight of 403.25 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 10216193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).