5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid

C11H8F3N3O4S — CID 158767432

IUPAC5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid
SMILESCn1c(=O)ccc2nc(C#N)ccc21.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C10H7N3O.CHF3O3S/c1-13-9-4-2-7(6-11)12-8(9)3-5-10(13)14;2-1(3,4)8(5,6)7/h2-5H,1H3;(H,5,6,7)
InChIKeyIPKZFRFKVLCHTC-UHFFFAOYSA-N
MW335.26 g/mol
LogP1.20
Rot. Bonds

About 5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid

5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid (PubChem CID 158767432) has the molecular formula C11H8F3N3O4S and a molecular weight of 335.26 g/mol. Its IUPAC name is 5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid
PubChem CID158767432
Molecular FormulaC11H8F3N3O4S
Molecular Weight335.26 g/mol
Exact Mass335.02
IUPAC Name5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid
SMILESCn1c(=O)ccc2nc(C#N)ccc21.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C10H7N3O.CHF3O3S/c1-13-9-4-2-7(6-11)12-8(9)3-5-10(13)14;2-1(3,4)8(5,6)7/h2-5H,1H3;(H,5,6,7)
InChIKeyIPKZFRFKVLCHTC-UHFFFAOYSA-N
XLogP1.20
TPSA113.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6-oxo-8-(trifluoromethylsulfanyloxy)-1,5-naphthyridine-2-carbonitrile
CID 156802061
1-methyl-6-oxopyridazine-3-carbonitrile
CID 82442076
8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792083
[6-cyano-2-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 91882930
8-[N-(cyclopropylmethyl)-4-(trifluoromethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792101
3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
CID 68973116
8-[4-[(3-fluoro-4-hydroxyphenyl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 175508086
7-(trifluoromethyl)quinoline-2-carbonitrile
CID 75355798
5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156556127
[4-[(5-cyanopyrrolo[3,2-b]pyridin-1-yl)methyl]phenyl]boronic acid
CID 155710950
8-[(2R,4S,5R)-5-ethyl-4-hydroxy-2-methylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156527031
3-ethyl-1-methylpyrrolo[3,2-b]pyridine-5-carbonitrile
CID 170062221

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid?
The IUPAC name of 5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid (CID 158767432) is 5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid.
What is the SMILES notation for 5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid?
The canonical SMILES for 5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid is Cn1c(=O)ccc2nc(C#N)ccc21.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid?
The InChIKey is IPKZFRFKVLCHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O.CHF3O3S/c1-13-9-4-2-7(6-11)12-8(9)3-5-10(13)14;2-1(3,4)8(5,6)7/h2-5H,1H3;(H,5,6,7).
What are the key properties of 5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid?
5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid has a molecular weight of 335.26 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile;trifluoromethanesulfonic acid is sourced from PubChem (CID 158767432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).