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

C15H12ClNO2 — CID 68972684

IUPAC3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESCc1cc2c(cn1)C(=O)OC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C15H12ClNO2/c1-9-6-11-7-14(10-2-4-12(16)5-3-10)19-15(18)13(11)8-17-9/h2-6,8,14H,7H2,1H3
InChIKeyXNQFZKHKGNHUOY-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.50
Rot. Bonds1

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

3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one (PubChem CID 68972684) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
PubChem CID68972684
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one
SMILESCc1cc2c(cn1)C(=O)OC(c1ccc(Cl)cc1)C2
InChIInChI=1S/C15H12ClNO2/c1-9-6-11-7-14(10-2-4-12(16)5-3-10)19-15(18)13(11)8-17-9/h2-6,8,14H,7H2,1H3
InChIKeyXNQFZKHKGNHUOY-UHFFFAOYSA-N
XLogP3.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The IUPAC name of 3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one (CID 68972684) is 3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one is Cc1cc2c(cn1)C(=O)OC(c1ccc(Cl)cc1)C2.
What is the InChIKey of 3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
The InChIKey is XNQFZKHKGNHUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-9-6-11-7-14(10-2-4-12(16)5-3-10)19-15(18)13(11)8-17-9/h2-6,8,14H,7H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one?
3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one has a molecular weight of 273.72 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one is sourced from PubChem (CID 68972684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).