3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one

C15H9F3N2O — CID 174822428

IUPAC3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one
SMILESO=c1[nH]c2cnccc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-4-2-1-3-10(12)11-7-9-5-6-19-8-13(9)20-14(11)21/h1-8H,(H,20,21)
InChIKeyBSRGJTDBUYRILY-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.61
Rot. Bonds1

About 3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one

3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one (PubChem CID 174822428) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one
PubChem CID174822428
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one
SMILESO=c1[nH]c2cnccc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-4-2-1-3-10(12)11-7-9-5-6-19-8-13(9)20-14(11)21/h1-8H,(H,20,21)
InChIKeyBSRGJTDBUYRILY-UHFFFAOYSA-N
XLogP3.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one (CID 174822428) is 3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one is O=c1[nH]c2cnccc2cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one?
The InChIKey is BSRGJTDBUYRILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)12-4-2-1-3-10(12)11-7-9-5-6-19-8-13(9)20-14(11)21/h1-8H,(H,20,21).
What are the key properties of 3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one?
3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one has a molecular weight of 290.24 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 174822428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).