9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one

C13H11F3N2O2 — CID 535721

IUPAC9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
SMILESCN1CCCc2cc3c(C(F)(F)F)cc(=O)oc3nc21
InChIInChI=1S/C13H11F3N2O2/c1-18-4-2-3-7-5-8-9(13(14,15)16)6-10(19)20-12(8)17-11(7)18/h5-6H,2-4H2,1H3
InChIKeyDFTKAPQWXBEJOB-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.59
Rot. Bonds

About 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one

9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one (PubChem CID 535721) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one.

Molecular Properties

Compound Name9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
PubChem CID535721
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
SMILESCN1CCCc2cc3c(C(F)(F)F)cc(=O)oc3nc21
InChIInChI=1S/C13H11F3N2O2/c1-18-4-2-3-7-5-8-9(13(14,15)16)6-10(19)20-12(8)17-11(7)18/h5-6H,2-4H2,1H3
InChIKeyDFTKAPQWXBEJOB-UHFFFAOYSA-N
XLogP2.59
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one with MolForge

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Related Compounds

2H-Pyrano(2,3-b)pyridin-2-one, 4-methyl-7-(4-morpholinyl)-
CID 93904
US20250066377, Example 17
CID 168942069
US20250066377, Example 18
CID 168942156
(6S,8R)-6,8,9-trimethyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
CID 139064048
7-Dimethylamino-4-methyl-8-azacoumarin
CID 12414433
Acetic acid;1-[6-phenylmethoxy-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10430901
Acetic acid;1-[6-(2-cyclohexylethoxy)-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 10454647
2-Oxo-6,9-dimethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-2H-pyrano [2,3-b][1,8]naphthyridine
CID 12378164
6,9-dimethyl-8-phenyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one
CID 12378167
7-Morpholin-4-yl-4-(trifluoromethyl)pyrano[2,3-b]pyridin-2-one
CID 12414431
7-(Methylamino)-4-(trifluoromethyl)pyrano[2,3-b]pyridin-2-one
CID 20342582
7-(2-Phenylethylamino)-4-(trifluoromethyl)pyrano[2,3-b]pyridin-2-one
CID 20342583

Frequently Asked Questions

What is the IUPAC name of 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one?
The IUPAC name of 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one (CID 535721) is 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one.
What is the SMILES notation for 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one?
The canonical SMILES for 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one is CN1CCCc2cc3c(C(F)(F)F)cc(=O)oc3nc21.
What is the InChIKey of 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one?
The InChIKey is DFTKAPQWXBEJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-18-4-2-3-7-5-8-9(13(14,15)16)6-10(19)20-12(8)17-11(7)18/h5-6H,2-4H2,1H3.
What are the key properties of 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one?
9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one has a molecular weight of 284.24 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-(trifluoromethyl)-7,8-dihydro-6H-pyrano[2,3-b][1,8]naphthyridin-2-one is sourced from PubChem (CID 535721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).