1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone

C12H9F3N2O3 — CID 136628480

IUPAC1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone
SMILESCOc1ccc2nc(C(F)(F)F)c(O)c(C(C)=O)c2n1
InChIInChI=1S/C12H9F3N2O3/c1-5(18)8-9-6(3-4-7(17-9)20-2)16-11(10(8)19)12(13,14)15/h3-4,19H,1-2H3
InChIKeyJDNYUHFRDSCTRB-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.57
Rot. Bonds2

About 1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone

1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone (PubChem CID 136628480) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone
PubChem CID136628480
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC Name1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone
SMILESCOc1ccc2nc(C(F)(F)F)c(O)c(C(C)=O)c2n1
InChIInChI=1S/C12H9F3N2O3/c1-5(18)8-9-6(3-4-7(17-9)20-2)16-11(10(8)19)12(13,14)15/h3-4,19H,1-2H3
InChIKeyJDNYUHFRDSCTRB-UHFFFAOYSA-N
XLogP2.57
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone?
The IUPAC name of 1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone (CID 136628480) is 1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone.
What is the SMILES notation for 1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone?
The canonical SMILES for 1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone is COc1ccc2nc(C(F)(F)F)c(O)c(C(C)=O)c2n1.
What is the InChIKey of 1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone?
The InChIKey is JDNYUHFRDSCTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3/c1-5(18)8-9-6(3-4-7(17-9)20-2)16-11(10(8)19)12(13,14)15/h3-4,19H,1-2H3.
What are the key properties of 1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone?
1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone has a molecular weight of 286.21 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-6-methoxy-2-(trifluoromethyl)-1,5-naphthyridin-4-yl]ethanone is sourced from PubChem (CID 136628480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).