8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one

C15H13FN2O2 — CID 11161595

IUPAC8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESCc1cc2c(c(Nc3ccc(F)cc3)n1)C(=O)OCC2
InChIInChI=1S/C15H13FN2O2/c1-9-8-10-6-7-20-15(19)13(10)14(17-9)18-12-4-2-11(16)3-5-12/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyOHSHSXLDYMDENB-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.99
Rot. Bonds2

About 8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one

8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one (PubChem CID 11161595) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
PubChem CID11161595
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESCc1cc2c(c(Nc3ccc(F)cc3)n1)C(=O)OCC2
InChIInChI=1S/C15H13FN2O2/c1-9-8-10-6-7-20-15(19)13(10)14(17-9)18-12-4-2-11(16)3-5-12/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyOHSHSXLDYMDENB-UHFFFAOYSA-N
XLogP2.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The IUPAC name of 8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one (CID 11161595) is 8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one.
What is the SMILES notation for 8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The canonical SMILES for 8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one is Cc1cc2c(c(Nc3ccc(F)cc3)n1)C(=O)OCC2.
What is the InChIKey of 8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The InChIKey is OHSHSXLDYMDENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-9-8-10-6-7-20-15(19)13(10)14(17-9)18-12-4-2-11(16)3-5-12/h2-5,8H,6-7H2,1H3,(H,17,18).
What are the key properties of 8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one has a molecular weight of 272.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoroanilino)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one is sourced from PubChem (CID 11161595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).