5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one

C19H11BrClF4NO — CID 134565220

IUPAC5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one
SMILESO=c1cc(-c2cccc(C(F)(F)F)c2Cl)n(Cc2ccccc2F)cc1Br
InChIInChI=1S/C19H11BrClF4NO/c20-14-10-26(9-11-4-1-2-7-15(11)22)16(8-17(14)27)12-5-3-6-13(18(12)21)19(23,24)25/h1-8,10H,9H2
InChIKeyFNLWDXHKIRZSJS-UHFFFAOYSA-N
MW460.65 g/mol
LogP6.14
Rot. Bonds3

About 5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one

5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one (PubChem CID 134565220) has the molecular formula C19H11BrClF4NO and a molecular weight of 460.65 g/mol. Its IUPAC name is 5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one
PubChem CID134565220
Molecular FormulaC19H11BrClF4NO
Molecular Weight460.65 g/mol
Exact Mass458.96
IUPAC Name5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one
SMILESO=c1cc(-c2cccc(C(F)(F)F)c2Cl)n(Cc2ccccc2F)cc1Br
InChIInChI=1S/C19H11BrClF4NO/c20-14-10-26(9-11-4-1-2-7-15(11)22)16(8-17(14)27)12-5-3-6-13(18(12)21)19(23,24)25/h1-8,10H,9H2
InChIKeyFNLWDXHKIRZSJS-UHFFFAOYSA-N
XLogP6.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.65
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one?
The IUPAC name of 5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one (CID 134565220) is 5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one.
What is the SMILES notation for 5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one?
The canonical SMILES for 5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one is O=c1cc(-c2cccc(C(F)(F)F)c2Cl)n(Cc2ccccc2F)cc1Br.
What is the InChIKey of 5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one?
The InChIKey is FNLWDXHKIRZSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrClF4NO/c20-14-10-26(9-11-4-1-2-7-15(11)22)16(8-17(14)27)12-5-3-6-13(18(12)21)19(23,24)25/h1-8,10H,9H2.
What are the key properties of 5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one?
5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one has a molecular weight of 460.65 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-fluorophenyl)methyl]pyridin-4-one is sourced from PubChem (CID 134565220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).