(8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate

C10H7F3N2O3S — CID 54179008

IUPAC(8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate
SMILESCc1nc(OS(=O)(=O)C(F)(F)F)cc2cccnc12
InChIInChI=1S/C10H7F3N2O3S/c1-6-9-7(3-2-4-14-9)5-8(15-6)18-19(16,17)10(11,12)13/h2-5H,1H3
InChIKeyPAMAGULZNMEPIZ-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.17
Rot. Bonds2

About (8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate

(8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate (PubChem CID 54179008) has the molecular formula C10H7F3N2O3S and a molecular weight of 292.24 g/mol. Its IUPAC name is (8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate
PubChem CID54179008
Molecular FormulaC10H7F3N2O3S
Molecular Weight292.24 g/mol
Exact Mass292.01
IUPAC Name(8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate
SMILESCc1nc(OS(=O)(=O)C(F)(F)F)cc2cccnc12
InChIInChI=1S/C10H7F3N2O3S/c1-6-9-7(3-2-4-14-9)5-8(15-6)18-19(16,17)10(11,12)13/h2-5H,1H3
InChIKeyPAMAGULZNMEPIZ-UHFFFAOYSA-N
XLogP2.17
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.17
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
Isoquinolin-3-yl trifluoromethanesulfonate
CID 11231236
5-Quinolyl trifluoromethanesulfonate
CID 11471403
1,7-Naphthyridin-6-yl trifluoromethanesulfonate
CID 53363356
Quinolin-7-yl trifluoromethanesulfonate
CID 59296115
7-Fluoro-2-methoxy-8-methyl-1,5-naphthyridine
CID 72191758
3-(Trifluoromethylsulfonyloxy)quinoline
CID 86625949
2,2'-Bipyridin-6-yl trifluoromethanesulfonate
CID 640076

Frequently Asked Questions

What is the IUPAC name of (8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate?
The IUPAC name of (8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate (CID 54179008) is (8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate.
What is the SMILES notation for (8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate?
The canonical SMILES for (8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate is Cc1nc(OS(=O)(=O)C(F)(F)F)cc2cccnc12.
What is the InChIKey of (8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate?
The InChIKey is PAMAGULZNMEPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3S/c1-6-9-7(3-2-4-14-9)5-8(15-6)18-19(16,17)10(11,12)13/h2-5H,1H3.
What are the key properties of (8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate?
(8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate has a molecular weight of 292.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-1,7-naphthyridin-6-yl) trifluoromethanesulfonate is sourced from PubChem (CID 54179008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).