ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate

C13H8F6N2O2 — CID 66545150

IUPACethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H8F6N2O2/c1-2-23-11(22)8-4-3-6-7(12(14,15)16)5-9(13(17,18)19)21-10(6)20-8/h3-5H,2H2,1H3
InChIKeySOGQRHUEDKQABR-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.84
Rot. Bonds2

About ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate

ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate (PubChem CID 66545150) has the molecular formula C13H8F6N2O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
PubChem CID66545150
Molecular FormulaC13H8F6N2O2
Molecular Weight338.21 g/mol
Exact Mass338.05
IUPAC Nameethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate
SMILESCCOC(=O)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H8F6N2O2/c1-2-23-11(22)8-4-3-6-7(12(14,15)16)5-9(13(17,18)19)21-10(6)20-8/h3-5H,2H2,1H3
InChIKeySOGQRHUEDKQABR-UHFFFAOYSA-N
XLogP3.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate?
The IUPAC name of ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate (CID 66545150) is ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate.
What is the SMILES notation for ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate?
The canonical SMILES for ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate is CCOC(=O)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1.
What is the InChIKey of ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate?
The InChIKey is SOGQRHUEDKQABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N2O2/c1-2-23-11(22)8-4-3-6-7(12(14,15)16)5-9(13(17,18)19)21-10(6)20-8/h3-5H,2H2,1H3.
What are the key properties of ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate?
ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate has a molecular weight of 338.21 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,7-bis(trifluoromethyl)-1,8-naphthyridine-2-carboxylate is sourced from PubChem (CID 66545150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).