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

C12H9F3N2O2 — CID 2782648

IUPACethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O2/c1-2-19-11(18)8-6-7-4-3-5-16-10(7)17-9(8)12(13,14)15/h3-6H,2H2,1H3
InChIKeyXKMRJSFJQOOMKF-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.83
Rot. Bonds2

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

ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 2782648) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID2782648
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Nameethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/C12H9F3N2O2/c1-2-19-11(18)8-6-7-4-3-5-16-10(7)17-9(8)12(13,14)15/h3-6H,2H2,1H3
InChIKeyXKMRJSFJQOOMKF-UHFFFAOYSA-N
XLogP2.83
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-(methoxymethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66601804
ethyl 7-methylsulfanyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66601976
ethyl 8-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224649
ethyl 2-(2-hydroxyethylamino)-1,8-naphthyridine-3-carboxylate
CID 10400428
ethyl 8-phenyl-2-(trifluoromethyl)-1,7-naphthyridine-3-carboxylate
CID 68787542
ethyl 7-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224642
ethyl 6-amino-5-iodo-2-(trifluoromethyl)pyridine-3-carboxylate
CID 118275238
ethyl 5-chloro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224634
ethyl 7-[ethyl(methyl)amino]-6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66602193
ethyl 6-fluoro-7-(2-methylpropyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 66602348
ethyl 3-amino-2-(trifluoromethyl)pyridine-4-carboxylate
CID 118704253
ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 2782648) is ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2cccnc2nc1C(F)(F)F.
What is the InChIKey of ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is XKMRJSFJQOOMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-2-19-11(18)8-6-7-4-3-5-16-10(7)17-9(8)12(13,14)15/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 270.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 2782648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).