1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one

C15H9F3N2O — CID 142666921

IUPAC1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one
SMILESO=c1ccn(-c2cccc(C(F)(F)F)c2)c2ncccc12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)10-3-1-4-11(9-10)20-8-6-13(21)12-5-2-7-19-14(12)20/h1-9H
InChIKeyFOYKOFHGYUDXCU-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.40
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one

1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one (PubChem CID 142666921) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one
PubChem CID142666921
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one
SMILESO=c1ccn(-c2cccc(C(F)(F)F)c2)c2ncccc12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)10-3-1-4-11(9-10)20-8-6-13(21)12-5-2-7-19-14(12)20/h1-9H
InChIKeyFOYKOFHGYUDXCU-UHFFFAOYSA-N
XLogP3.40
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 11362239
1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one
CID 150807732
4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 59436157
3-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 18439300
2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 140722626
1-[(2S)-1,1,1-trifluorobutan-2-yl]-1,8-naphthyridin-4-one
CID 175704471
3-chloro-4-[hydroxy(methyl)amino]-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 88847440
3-ethynyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 58072339
4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 172992549
1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinoline-4-carboxylic acid
CID 4101882
3-(1-phenylpyrazol-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
CID 1479691

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one (CID 142666921) is 1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one is O=c1ccn(-c2cccc(C(F)(F)F)c2)c2ncccc12.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one?
The InChIKey is FOYKOFHGYUDXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)10-3-1-4-11(9-10)20-8-6-13(21)12-5-2-7-19-14(12)20/h1-9H.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one?
1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one has a molecular weight of 290.24 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 142666921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).