ethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C12H8ClF3N2O2 — CID 66602458

IUPACethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(Cl)ccnc2nc1C(F)(F)F
InChIInChI=1S/C12H8ClF3N2O2/c1-2-20-11(19)7-5-6-8(13)3-4-17-10(6)18-9(7)12(14,15)16/h3-5H,2H2,1H3
InChIKeyUMUOKOQSRSJQOS-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.48
Rot. Bonds2

About ethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

ethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 66602458) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is ethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID66602458
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC Nameethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(Cl)ccnc2nc1C(F)(F)F
InChIInChI=1S/C12H8ClF3N2O2/c1-2-20-11(19)7-5-6-8(13)3-4-17-10(6)18-9(7)12(14,15)16/h3-5H,2H2,1H3
InChIKeyUMUOKOQSRSJQOS-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 66602458) is ethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2c(Cl)ccnc2nc1C(F)(F)F.
What is the InChIKey of ethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is UMUOKOQSRSJQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2/c1-2-20-11(19)7-5-6-8(13)3-4-17-10(6)18-9(7)12(14,15)16/h3-5H,2H2,1H3.
What are the key properties of ethyl 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
ethyl 5-chloro-2-(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 5-chloro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66602458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).