1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one

C19H13BrF3NO2 — CID 24730411

IUPAC1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESO=c1cccc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccc(Br)cc1
InChIInChI=1S/C19H13BrF3NO2/c20-15-8-4-13(5-9-15)12-24-17(2-1-3-18(24)25)14-6-10-16(11-7-14)26-19(21,22)23/h1-11H,12H2
InChIKeyFHXUUWPLFNPTQE-UHFFFAOYSA-N
MW424.22 g/mol
LogP5.22
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one

1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one (PubChem CID 24730411) has the molecular formula C19H13BrF3NO2 and a molecular weight of 424.22 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one
PubChem CID24730411
Molecular FormulaC19H13BrF3NO2
Molecular Weight424.22 g/mol
Exact Mass423.01
IUPAC Name1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one
SMILESO=c1cccc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccc(Br)cc1
InChIInChI=1S/C19H13BrF3NO2/c20-15-8-4-13(5-9-15)12-24-17(2-1-3-18(24)25)14-6-10-16(11-7-14)26-19(21,22)23/h1-11H,12H2
InChIKeyFHXUUWPLFNPTQE-UHFFFAOYSA-N
XLogP5.22
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.22
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one (CID 24730411) is 1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one is O=c1cccc(-c2ccc(OC(F)(F)F)cc2)n1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
The InChIKey is FHXUUWPLFNPTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF3NO2/c20-15-8-4-13(5-9-15)12-24-17(2-1-3-18(24)25)14-6-10-16(11-7-14)26-19(21,22)23/h1-11H,12H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one?
1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one has a molecular weight of 424.22 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 24730411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).