ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate

C17H12F3N3O3 — CID 135923345

IUPACethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate
SMILESCCOC(=O)c1ncc2nc(-c3ncccc3C(F)(F)F)ccc2c1O
InChIInChI=1S/C17H12F3N3O3/c1-2-26-16(25)14-15(24)9-5-6-11(23-12(9)8-22-14)13-10(17(18,19)20)4-3-7-21-13/h3-8,24H,2H2,1H3
InChIKeyWHQCTLTVIPHOJV-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.59
Rot. Bonds3

About ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate

ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate (PubChem CID 135923345) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate
PubChem CID135923345
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Nameethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate
SMILESCCOC(=O)c1ncc2nc(-c3ncccc3C(F)(F)F)ccc2c1O
InChIInChI=1S/C17H12F3N3O3/c1-2-26-16(25)14-15(24)9-5-6-11(23-12(9)8-22-14)13-10(17(18,19)20)4-3-7-21-13/h3-8,24H,2H2,1H3
InChIKeyWHQCTLTVIPHOJV-UHFFFAOYSA-N
XLogP3.59
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-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 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate (CID 135923345) is ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate is CCOC(=O)c1ncc2nc(-c3ncccc3C(F)(F)F)ccc2c1O.
What is the InChIKey of ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate?
The InChIKey is WHQCTLTVIPHOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c1-2-26-16(25)14-15(24)9-5-6-11(23-12(9)8-22-14)13-10(17(18,19)20)4-3-7-21-13/h3-8,24H,2H2,1H3.
What are the key properties of ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate?
ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate has a molecular weight of 363.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-[3-(trifluoromethyl)-2-pyridinyl]-1,7-naphthyridine-6-carboxylate is sourced from PubChem (CID 135923345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).