ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C12H8ClF3N2O2 — CID 19374358

IUPACethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C(F)(F)F)ccc2c1Cl
InChIInChI=1S/C12H8ClF3N2O2/c1-2-20-11(19)7-5-17-10-6(9(7)13)3-4-8(18-10)12(14,15)16/h3-5H,2H2,1H3
InChIKeyVULMHERCGQCVAJ-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.48
Rot. Bonds2

About ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 19374358) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID19374358
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC Nameethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C(F)(F)F)ccc2c1Cl
InChIInChI=1S/C12H8ClF3N2O2/c1-2-20-11(19)7-5-17-10-6(9(7)13)3-4-8(18-10)12(14,15)16/h3-5H,2H2,1H3
InChIKeyVULMHERCGQCVAJ-UHFFFAOYSA-N
XLogP3.48
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-chloro-7-(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 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 19374358) is ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C(F)(F)F)ccc2c1Cl.
What is the InChIKey of ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is VULMHERCGQCVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2/c1-2-20-11(19)7-5-17-10-6(9(7)13)3-4-8(18-10)12(14,15)16/h3-5H,2H2,1H3.
What are the key properties of ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 304.66 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 19374358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).