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

C16H13ClFNO3 — CID 125432221

IUPAC(4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1C)[C@H](c1ccc(F)cc1Cl)CC(=O)O2
InChIInChI=1S/C16H13ClFNO3/c1-8-5-13-15(16(21)19(8)2)11(7-14(20)22-13)10-4-3-9(18)6-12(10)17/h3-6,11H,7H2,1-2H3/t11-/m0/s1
InChIKeyYXQPZDMUHDFJDR-NSHDSACASA-N
MW321.74 g/mol
LogP2.93
Rot. Bonds1

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

(4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (PubChem CID 125432221) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.74 g/mol. Its IUPAC name is (4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
PubChem CID125432221
Molecular FormulaC16H13ClFNO3
Molecular Weight321.74 g/mol
Exact Mass321.06
IUPAC Name(4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)n1C)[C@H](c1ccc(F)cc1Cl)CC(=O)O2
InChIInChI=1S/C16H13ClFNO3/c1-8-5-13-15(16(21)19(8)2)11(7-14(20)22-13)10-4-3-9(18)6-12(10)17/h3-6,11H,7H2,1-2H3/t11-/m0/s1
InChIKeyYXQPZDMUHDFJDR-NSHDSACASA-N
XLogP2.93
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione (CID 125432221) is (4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)n1C)[C@H](c1ccc(F)cc1Cl)CC(=O)O2.
What is the InChIKey of (4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is YXQPZDMUHDFJDR-NSHDSACASA-N. The full InChI is InChI=1S/C16H13ClFNO3/c1-8-5-13-15(16(21)19(8)2)11(7-14(20)22-13)10-4-3-9(18)6-12(10)17/h3-6,11H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of (4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione?
(4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 321.74 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-chloro-4-fluorophenyl)-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 125432221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).