2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one

C17H15FN2O2 — CID 134810496

IUPAC2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one
SMILESCc1ccc(F)cc1-c1nccc2c(=O)cc(N(C)C)oc12
InChIInChI=1S/C17H15FN2O2/c1-10-4-5-11(18)8-13(10)16-17-12(6-7-19-16)14(21)9-15(22-17)20(2)3/h4-9H,1-3H3
InChIKeyABKACVBHLCJPKU-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.37
Rot. Bonds2

About 2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one

2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one (PubChem CID 134810496) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one
PubChem CID134810496
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one
SMILESCc1ccc(F)cc1-c1nccc2c(=O)cc(N(C)C)oc12
InChIInChI=1S/C17H15FN2O2/c1-10-4-5-11(18)8-13(10)16-17-12(6-7-19-16)14(21)9-15(22-17)20(2)3/h4-9H,1-3H3
InChIKeyABKACVBHLCJPKU-UHFFFAOYSA-N
XLogP3.37
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
The IUPAC name of 2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one (CID 134810496) is 2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one is Cc1ccc(F)cc1-c1nccc2c(=O)cc(N(C)C)oc12.
What is the InChIKey of 2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
The InChIKey is ABKACVBHLCJPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10-4-5-11(18)8-13(10)16-17-12(6-7-19-16)14(21)9-15(22-17)20(2)3/h4-9H,1-3H3.
What are the key properties of 2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one?
2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one has a molecular weight of 298.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(5-fluoro-2-methylphenyl)pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134810496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).