methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

C12H11F3N2O3 — CID 112535213

IUPACmethyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c1CCN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C12H11F3N2O3/c1-20-10(18)9-5-16-4-7-6-17(3-2-8(7)9)11(19)12(13,14)15/h4-5H,2-3,6H2,1H3
InChIKeyGWVIGZDJZYPYPF-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.32
Rot. Bonds1

About methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate

methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (PubChem CID 112535213) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
PubChem CID112535213
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Namemethyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
SMILESCOC(=O)c1cncc2c1CCN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C12H11F3N2O3/c1-20-10(18)9-5-16-4-7-6-17(3-2-8(7)9)11(19)12(13,14)15/h4-5H,2-3,6H2,1H3
InChIKeyGWVIGZDJZYPYPF-UHFFFAOYSA-N
XLogP1.32
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The IUPAC name of methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate (CID 112535213) is methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate.
What is the SMILES notation for methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The canonical SMILES for methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is COC(=O)c1cncc2c1CCN(C(=O)C(F)(F)F)C2.
What is the InChIKey of methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
The InChIKey is GWVIGZDJZYPYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-20-10(18)9-5-16-4-7-6-17(3-2-8(7)9)11(19)12(13,14)15/h4-5H,2-3,6H2,1H3.
What are the key properties of methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate?
methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate has a molecular weight of 288.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2,2,2-trifluoroacetyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate is sourced from PubChem (CID 112535213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).