6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one

C18H16ClNO3 — CID 18185602

IUPAC6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one
SMILESCC1=C(O)C(=O)C(c2cc(C)ccc2Cl)OC1c1ccccn1
InChIInChI=1S/C18H16ClNO3/c1-10-6-7-13(19)12(9-10)18-16(22)15(21)11(2)17(23-18)14-5-3-4-8-20-14/h3-9,17-18,21H,1-2H3
InChIKeyQDFGAAWONDWVDK-UHFFFAOYSA-N
MW329.78 g/mol
LogP4.26
Rot. Bonds2

About 6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one

6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one (PubChem CID 18185602) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one.

Molecular Properties

Compound Name6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one
PubChem CID18185602
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one
SMILESCC1=C(O)C(=O)C(c2cc(C)ccc2Cl)OC1c1ccccn1
InChIInChI=1S/C18H16ClNO3/c1-10-6-7-13(19)12(9-10)18-16(22)15(21)11(2)17(23-18)14-5-3-4-8-20-14/h3-9,17-18,21H,1-2H3
InChIKeyQDFGAAWONDWVDK-UHFFFAOYSA-N
XLogP4.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one?
The IUPAC name of 6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one (CID 18185602) is 6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one.
What is the SMILES notation for 6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one?
The canonical SMILES for 6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one is CC1=C(O)C(=O)C(c2cc(C)ccc2Cl)OC1c1ccccn1.
What is the InChIKey of 6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one?
The InChIKey is QDFGAAWONDWVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-10-6-7-13(19)12(9-10)18-16(22)15(21)11(2)17(23-18)14-5-3-4-8-20-14/h3-9,17-18,21H,1-2H3.
What are the key properties of 6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one?
6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one has a molecular weight of 329.78 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-methylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one is sourced from PubChem (CID 18185602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).