6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid

C10H4F4N2O2 — CID 66601585

IUPAC6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2cc(F)cnc2nc1C(F)(F)F
InChIInChI=1S/C10H4F4N2O2/c11-5-1-4-2-6(9(17)18)7(10(12,13)14)16-8(4)15-3-5/h1-3H,(H,17,18)
InChIKeyMWEHOTUBSAHCEN-UHFFFAOYSA-N
MW260.15 g/mol
LogP2.49
Rot. Bonds1

About 6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid

6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 66601585) has the molecular formula C10H4F4N2O2 and a molecular weight of 260.15 g/mol. Its IUPAC name is 6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID66601585
Molecular FormulaC10H4F4N2O2
Molecular Weight260.15 g/mol
Exact Mass260.02
IUPAC Name6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cc2cc(F)cnc2nc1C(F)(F)F
InChIInChI=1S/C10H4F4N2O2/c11-5-1-4-2-6(9(17)18)7(10(12,13)14)16-8(4)15-3-5/h1-3H,(H,17,18)
InChIKeyMWEHOTUBSAHCEN-UHFFFAOYSA-N
XLogP2.49
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid (CID 66601585) is 6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cc2cc(F)cnc2nc1C(F)(F)F.
What is the InChIKey of 6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is MWEHOTUBSAHCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4N2O2/c11-5-1-4-2-6(9(17)18)7(10(12,13)14)16-8(4)15-3-5/h1-3H,(H,17,18).
What are the key properties of 6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 260.15 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 66601585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).