2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one

C19H15F3N2O — CID 70989962

IUPAC2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c(C)[nH]1
InChIInChI=1S/C19H15F3N2O/c1-11-9-17(25)18(12(2)24-11)14-5-8-16(23-10-14)13-3-6-15(7-4-13)19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyGEBGSAFAOMVIKR-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.74
Rot. Bonds2

About 2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one

2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one (PubChem CID 70989962) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one
PubChem CID70989962
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c(C)[nH]1
InChIInChI=1S/C19H15F3N2O/c1-11-9-17(25)18(12(2)24-11)14-5-8-16(23-10-14)13-3-6-15(7-4-13)19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyGEBGSAFAOMVIKR-UHFFFAOYSA-N
XLogP4.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one?
The IUPAC name of 2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one (CID 70989962) is 2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one is Cc1cc(=O)c(-c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)c(C)[nH]1.
What is the InChIKey of 2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one?
The InChIKey is GEBGSAFAOMVIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-11-9-17(25)18(12(2)24-11)14-5-8-16(23-10-14)13-3-6-15(7-4-13)19(20,21)22/h3-10H,1-2H3,(H,24,25).
What are the key properties of 2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one?
2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one has a molecular weight of 344.34 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyridin-4-one is sourced from PubChem (CID 70989962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).