3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one

C19H13BrCl2FNO2 — CID 10127604

IUPAC3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C19H13BrCl2FNO2/c1-11-9-16(26-10-12-5-7-13(23)8-6-12)17(20)19(25)24(11)18-14(21)3-2-4-15(18)22/h2-9H,10H2,1H3
InChIKeyIJHZHMDMJCJCDV-UHFFFAOYSA-N
MW457.13 g/mol
LogP5.93
Rot. Bonds4

About 3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one

3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one (PubChem CID 10127604) has the molecular formula C19H13BrCl2FNO2 and a molecular weight of 457.13 g/mol. Its IUPAC name is 3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
PubChem CID10127604
Molecular FormulaC19H13BrCl2FNO2
Molecular Weight457.13 g/mol
Exact Mass454.95
IUPAC Name3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C19H13BrCl2FNO2/c1-11-9-16(26-10-12-5-7-13(23)8-6-12)17(20)19(25)24(11)18-14(21)3-2-4-15(18)22/h2-9H,10H2,1H3
InChIKeyIJHZHMDMJCJCDV-UHFFFAOYSA-N
XLogP5.93
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.13
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one?
The IUPAC name of 3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one (CID 10127604) is 3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one?
The canonical SMILES for 3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one is Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one?
The InChIKey is IJHZHMDMJCJCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrCl2FNO2/c1-11-9-16(26-10-12-5-7-13(23)8-6-12)17(20)19(25)24(11)18-14(21)3-2-4-15(18)22/h2-9H,10H2,1H3.
What are the key properties of 3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one?
3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one has a molecular weight of 457.13 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,6-dichlorophenyl)-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one is sourced from PubChem (CID 10127604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).