ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C13H11F4N3O2 — CID 66601767

IUPACethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)c(NC)nc2nc1C(F)(F)F
InChIInChI=1S/C13H11F4N3O2/c1-3-22-12(21)7-4-6-5-8(14)11(18-2)20-10(6)19-9(7)13(15,16)17/h4-5H,3H2,1-2H3,(H,18,19,20)
InChIKeyNCFQVQHFNMQDNX-UHFFFAOYSA-N
MW317.24 g/mol
LogP3.01
Rot. Bonds3

About ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 66601767) has the molecular formula C13H11F4N3O2 and a molecular weight of 317.24 g/mol. Its IUPAC name is ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID66601767
Molecular FormulaC13H11F4N3O2
Molecular Weight317.24 g/mol
Exact Mass317.08
IUPAC Nameethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cc2cc(F)c(NC)nc2nc1C(F)(F)F
InChIInChI=1S/C13H11F4N3O2/c1-3-22-12(21)7-4-6-5-8(14)11(18-2)20-10(6)19-9(7)13(15,16)17/h4-5H,3H2,1-2H3,(H,18,19,20)
InChIKeyNCFQVQHFNMQDNX-UHFFFAOYSA-N
XLogP3.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 66601767) is ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cc2cc(F)c(NC)nc2nc1C(F)(F)F.
What is the InChIKey of ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is NCFQVQHFNMQDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O2/c1-3-22-12(21)7-4-6-5-8(14)11(18-2)20-10(6)19-9(7)13(15,16)17/h4-5H,3H2,1-2H3,(H,18,19,20).
What are the key properties of ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 317.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-7-(methylamino)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66601767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).