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

C19H18ClNO3 — CID 22336861

IUPAC6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one
SMILESCC1=C(O)C(=O)C(c2cc(C)c(C)cc2Cl)OC1c1ccccn1
InChIInChI=1S/C19H18ClNO3/c1-10-8-13(14(20)9-11(10)2)19-17(23)16(22)12(3)18(24-19)15-6-4-5-7-21-15/h4-9,18-19,22H,1-3H3
InChIKeyKMIIXIRLYAFWJL-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.57
Rot. Bonds2

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

6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one (PubChem CID 22336861) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is 6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one.

Molecular Properties

Compound Name6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one
PubChem CID22336861
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one
SMILESCC1=C(O)C(=O)C(c2cc(C)c(C)cc2Cl)OC1c1ccccn1
InChIInChI=1S/C19H18ClNO3/c1-10-8-13(14(20)9-11(10)2)19-17(23)16(22)12(3)18(24-19)15-6-4-5-7-21-15/h4-9,18-19,22H,1-3H3
InChIKeyKMIIXIRLYAFWJL-UHFFFAOYSA-N
XLogP4.57
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one?
The IUPAC name of 6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one (CID 22336861) is 6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one.
What is the SMILES notation for 6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one?
The canonical SMILES for 6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one is CC1=C(O)C(=O)C(c2cc(C)c(C)cc2Cl)OC1c1ccccn1.
What is the InChIKey of 6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one?
The InChIKey is KMIIXIRLYAFWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-10-8-13(14(20)9-11(10)2)19-17(23)16(22)12(3)18(24-19)15-6-4-5-7-21-15/h4-9,18-19,22H,1-3H3.
What are the key properties of 6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one?
6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one has a molecular weight of 343.81 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4,5-dimethylphenyl)-4-hydroxy-3-methyl-2-pyridin-2-yl-2H-pyran-5-one is sourced from PubChem (CID 22336861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).