ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C13H11F3N2O2 — CID 50916913

IUPACethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(C)nc2nc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c1-3-20-12(19)9-6-8-5-4-7(2)17-11(8)18-10(9)13(14,15)16/h4-6H,3H2,1-2H3
InChIKeyLODHKHVDASYHJM-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.13
Rot. Bonds2

About ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 50916913) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID50916913
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Nameethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(C)nc2nc1C(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c1-3-20-12(19)9-6-8-5-4-7(2)17-11(8)18-10(9)13(14,15)16/h4-6H,3H2,1-2H3
InChIKeyLODHKHVDASYHJM-UHFFFAOYSA-N
XLogP3.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 50916913) is ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2ccc(C)nc2nc1C(F)(F)F.
What is the InChIKey of ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is LODHKHVDASYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-3-20-12(19)9-6-8-5-4-7(2)17-11(8)18-10(9)13(14,15)16/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 284.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 50916913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).