(4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

C16H14FNO3 — CID 125432766

IUPAC(4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1C)[C@H](c1ccc(F)cc1)CC(=O)O2
InChIInChI=1S/C16H14FNO3/c1-9-7-13-15(16(20)18(9)2)12(8-14(19)21-13)10-3-5-11(17)6-4-10/h3-7,12H,8H2,1-2H3/t12-/m0/s1
InChIKeyGUIADFCWFPPGBU-LBPRGKRZSA-N
MW287.29 g/mol
LogP2.27
Rot. Bonds1

About (4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione

(4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 125432766) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID125432766
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1C)[C@H](c1ccc(F)cc1)CC(=O)O2
InChIInChI=1S/C16H14FNO3/c1-9-7-13-15(16(20)18(9)2)12(8-14(19)21-13)10-3-5-11(17)6-4-10/h3-7,12H,8H2,1-2H3/t12-/m0/s1
InChIKeyGUIADFCWFPPGBU-LBPRGKRZSA-N
XLogP2.27
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 125432766) is (4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)n1C)[C@H](c1ccc(F)cc1)CC(=O)O2.
What is the InChIKey of (4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is GUIADFCWFPPGBU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-9-7-13-15(16(20)18(9)2)12(8-14(19)21-13)10-3-5-11(17)6-4-10/h3-7,12H,8H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 287.29 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 125432766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).