5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine

C19H11F3N2O — CID 90864256

IUPAC5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1ccc2c(-c3ccccc3-c3ccoc3)ccnc2n1
InChIInChI=1S/C19H11F3N2O/c20-19(21,22)17-6-5-16-15(7-9-23-18(16)24-17)14-4-2-1-3-13(14)12-8-10-25-11-12/h1-11H
InChIKeyVJKWMHKNAFCTDF-UHFFFAOYSA-N
MW340.30 g/mol
LogP5.58
Rot. Bonds2

About 5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine

5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine (PubChem CID 90864256) has the molecular formula C19H11F3N2O and a molecular weight of 340.30 g/mol. Its IUPAC name is 5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
PubChem CID90864256
Molecular FormulaC19H11F3N2O
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1ccc2c(-c3ccccc3-c3ccoc3)ccnc2n1
InChIInChI=1S/C19H11F3N2O/c20-19(21,22)17-6-5-16-15(7-9-23-18(16)24-17)14-4-2-1-3-13(14)12-8-10-25-11-12/h1-11H
InChIKeyVJKWMHKNAFCTDF-UHFFFAOYSA-N
XLogP5.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.30
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine (CID 90864256) is 5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine is FC(F)(F)c1ccc2c(-c3ccccc3-c3ccoc3)ccnc2n1.
What is the InChIKey of 5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is VJKWMHKNAFCTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O/c20-19(21,22)17-6-5-16-15(7-9-23-18(16)24-17)14-4-2-1-3-13(14)12-8-10-25-11-12/h1-11H.
What are the key properties of 5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine?
5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 340.30 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-3-yl)phenyl]-2-(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 90864256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).