1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one

C14H7F3N2O — CID 150807732

IUPAC1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one
SMILESO=c1ccn(-c2c(F)cc(F)cc2F)c2ncccc12
InChIInChI=1S/C14H7F3N2O/c15-8-6-10(16)13(11(17)7-8)19-5-3-12(20)9-2-1-4-18-14(9)19/h1-7H
InChIKeyKHFNIVPBWZBOAY-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.80
Rot. Bonds1

About 1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one

1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one (PubChem CID 150807732) has the molecular formula C14H7F3N2O and a molecular weight of 276.22 g/mol. Its IUPAC name is 1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one
PubChem CID150807732
Molecular FormulaC14H7F3N2O
Molecular Weight276.22 g/mol
Exact Mass276.05
IUPAC Name1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one
SMILESO=c1ccn(-c2c(F)cc(F)cc2F)c2ncccc12
InChIInChI=1S/C14H7F3N2O/c15-8-6-10(16)13(11(17)7-8)19-5-3-12(20)9-2-1-4-18-14(9)19/h1-7H
InChIKeyKHFNIVPBWZBOAY-UHFFFAOYSA-N
XLogP2.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one?
The IUPAC name of 1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one (CID 150807732) is 1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one is O=c1ccn(-c2c(F)cc(F)cc2F)c2ncccc12.
What is the InChIKey of 1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one?
The InChIKey is KHFNIVPBWZBOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O/c15-8-6-10(16)13(11(17)7-8)19-5-3-12(20)9-2-1-4-18-14(9)19/h1-7H.
What are the key properties of 1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one?
1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one has a molecular weight of 276.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trifluorophenyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 150807732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).