fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C11H6F4N2O2 — CID 68640231

IUPACfluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCc1ccc2cc(C(=O)OF)c(C(F)(F)F)nc2n1
InChIInChI=1S/C11H6F4N2O2/c1-5-2-3-6-4-7(10(18)19-15)8(11(12,13)14)17-9(6)16-5/h2-4H,1H3
InChIKeyJYYFOYJDBYCZAS-UHFFFAOYSA-N
MW274.17 g/mol
LogP3.00
Rot. Bonds1

About fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 68640231) has the molecular formula C11H6F4N2O2 and a molecular weight of 274.17 g/mol. Its IUPAC name is fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namefluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
PubChem CID68640231
Molecular FormulaC11H6F4N2O2
Molecular Weight274.17 g/mol
Exact Mass274.04
IUPAC Namefluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
SMILESCc1ccc2cc(C(=O)OF)c(C(F)(F)F)nc2n1
InChIInChI=1S/C11H6F4N2O2/c1-5-2-3-6-4-7(10(18)19-15)8(11(12,13)14)17-9(6)16-5/h2-4H,1H3
InChIKeyJYYFOYJDBYCZAS-UHFFFAOYSA-N
XLogP3.00
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The IUPAC name of fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 68640231) is fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is Cc1ccc2cc(C(=O)OF)c(C(F)(F)F)nc2n1.
What is the InChIKey of fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
The InChIKey is JYYFOYJDBYCZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2O2/c1-5-2-3-6-4-7(10(18)19-15)8(11(12,13)14)17-9(6)16-5/h2-4H,1H3.
What are the key properties of fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?
fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 274.17 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 7-methyl-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 68640231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).