methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate

C17H11F3N2O2 — CID 67135909

IUPACmethyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc2nccc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C17H11F3N2O2/c1-24-16(23)14-6-5-13-15(22-14)12(7-8-21-13)10-3-2-4-11(9-10)17(18,19)20/h2-9H,1H3
InChIKeyOPYFNQCMGLDHKD-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.10
Rot. Bonds2

About methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate

methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate (PubChem CID 67135909) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate
PubChem CID67135909
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Namemethyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate
SMILESCOC(=O)c1ccc2nccc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C17H11F3N2O2/c1-24-16(23)14-6-5-13-15(22-14)12(7-8-21-13)10-3-2-4-11(9-10)17(18,19)20/h2-9H,1H3
InChIKeyOPYFNQCMGLDHKD-UHFFFAOYSA-N
XLogP4.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate?
The IUPAC name of methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate (CID 67135909) is methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate is COC(=O)c1ccc2nccc(-c3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate?
The InChIKey is OPYFNQCMGLDHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c1-24-16(23)14-6-5-13-15(22-14)12(7-8-21-13)10-3-2-4-11(9-10)17(18,19)20/h2-9H,1H3.
What are the key properties of methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate?
methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate has a molecular weight of 332.28 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[3-(trifluoromethyl)phenyl]-1,5-naphthyridine-2-carboxylate is sourced from PubChem (CID 67135909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).