5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione

C17H13F3N2O3 — CID 141247172

IUPAC5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
SMILESCC1CC(=O)C(C(=O)c2cc3cccnc3nc2C(F)(F)F)C(=O)C1
InChIInChI=1S/C17H13F3N2O3/c1-8-5-11(23)13(12(24)6-8)14(25)10-7-9-3-2-4-21-16(9)22-15(10)17(18,19)20/h2-4,7-8,13H,5-6H2,1H3
InChIKeyHJLPVLSVDQREME-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.02
Rot. Bonds2

About 5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione

5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione (PubChem CID 141247172) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
PubChem CID141247172
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
SMILESCC1CC(=O)C(C(=O)c2cc3cccnc3nc2C(F)(F)F)C(=O)C1
InChIInChI=1S/C17H13F3N2O3/c1-8-5-11(23)13(12(24)6-8)14(25)10-7-9-3-2-4-21-16(9)22-15(10)17(18,19)20/h2-4,7-8,13H,5-6H2,1H3
InChIKeyHJLPVLSVDQREME-UHFFFAOYSA-N
XLogP3.02
TPSA76.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]spiro[2.5]octane-6,8-dione
CID 141247186
ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 2782648
2-[7-(methoxymethyl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 141247139
N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 10835803
6-[7-ethoxy-2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]-2,2,4,4-tetramethylcyclohexane-1,3,5-trione
CID 66601995
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 135529797
2-[6-fluoro-7-(3-methoxyazetidin-1-yl)-2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 141247208
2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione
CID 123276386
2-[2-methyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 141247193
2-[8-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-oxo-2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 141247217
2-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 46908391
2-[[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methyl]-1,8-naphthyridine-3-carboxamide
CID 66632361

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
The IUPAC name of 5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione (CID 141247172) is 5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione.
What is the SMILES notation for 5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
The canonical SMILES for 5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione is CC1CC(=O)C(C(=O)c2cc3cccnc3nc2C(F)(F)F)C(=O)C1.
What is the InChIKey of 5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
The InChIKey is HJLPVLSVDQREME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-8-5-11(23)13(12(24)6-8)14(25)10-7-9-3-2-4-21-16(9)22-15(10)17(18,19)20/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of 5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione?
5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione has a molecular weight of 350.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(trifluoromethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione is sourced from PubChem (CID 141247172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).