[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate

C15H8F4N2O3S — CID 71499995

IUPAC[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc2cccnc2c(-c2cccc(F)c2)n1)C(F)(F)F
InChIInChI=1S/C15H8F4N2O3S/c16-11-5-1-3-9(7-11)14-13-10(4-2-6-20-13)8-12(21-14)24-25(22,23)15(17,18)19/h1-8H
InChIKeyRJEYURLHNCVKLI-UHFFFAOYSA-N
MW372.30 g/mol
LogP3.66
Rot. Bonds3

About [8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate

[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate (PubChem CID 71499995) has the molecular formula C15H8F4N2O3S and a molecular weight of 372.30 g/mol. Its IUPAC name is [8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate
PubChem CID71499995
Molecular FormulaC15H8F4N2O3S
Molecular Weight372.30 g/mol
Exact Mass372.02
IUPAC Name[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc2cccnc2c(-c2cccc(F)c2)n1)C(F)(F)F
InChIInChI=1S/C15H8F4N2O3S/c16-11-5-1-3-9(7-11)14-13-10(4-2-6-20-13)8-12(21-14)24-25(22,23)15(17,18)19/h1-8H
InChIKeyRJEYURLHNCVKLI-UHFFFAOYSA-N
XLogP3.66
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

Trifluoro-methanesulfonic acid 8-(3-cyano-phenyl)-[1,7]naphthyridin-6-yl ester
CID 10571743
Trifluoro-methanesulfonic acid 8-(3-chloro-phenyl)-[1,7]naphthyridin-6-yl ester
CID 10691724
6-Trifluoromethylsulfonyloxy-8-(3-nitrophenyl)-1,7-naphthyridine
CID 10810934
6-Quinolinyl trifluoromethanesulfonate
CID 15290358
1,6-Naphthyridin-5-yl trifluoromethanesulfonate
CID 44890805
1,7-Naphthyridin-6-yl trifluoromethanesulfonate
CID 53363356
7-Fluoro-2-methoxy-8-methyl-1,5-naphthyridine
CID 72191758
3-(Trifluoromethylsulfonyloxy)quinoline
CID 86625949
[8-(Trifluoromethyl)quinolin-4-yl] trifluoromethanesulfonate
CID 125495879
2,2'-Bipyridin-6-yl trifluoromethanesulfonate
CID 640076
4-(Trifluoromethylsulfonyloxy)quinoline
CID 11076716
2-[(Trifluoromethanesulfonyl)oxy]-7,8,9,10-tetrahydrophenanthridine
CID 15678069

Frequently Asked Questions

What is the IUPAC name of [8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate?
The IUPAC name of [8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate (CID 71499995) is [8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate.
What is the SMILES notation for [8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate?
The canonical SMILES for [8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate is O=S(=O)(Oc1cc2cccnc2c(-c2cccc(F)c2)n1)C(F)(F)F.
What is the InChIKey of [8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate?
The InChIKey is RJEYURLHNCVKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O3S/c16-11-5-1-3-9(7-11)14-13-10(4-2-6-20-13)8-12(21-14)24-25(22,23)15(17,18)19/h1-8H.
What are the key properties of [8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate?
[8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate has a molecular weight of 372.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-fluorophenyl)-1,7-naphthyridin-6-yl] trifluoromethanesulfonate is sourced from PubChem (CID 71499995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).