5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one

C13H13ClN2O — CID 82467413

IUPAC5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one
SMILESCc1ccc(Cl)cc1-n1cc(N)c(=O)cc1C
InChIInChI=1S/C13H13ClN2O/c1-8-3-4-10(14)6-12(8)16-7-11(15)13(17)5-9(16)2/h3-7H,15H2,1-2H3
InChIKeyNVUUCFKOUXICLP-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.69
Rot. Bonds1

About 5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one

5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one (PubChem CID 82467413) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one
PubChem CID82467413
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one
SMILESCc1ccc(Cl)cc1-n1cc(N)c(=O)cc1C
InChIInChI=1S/C13H13ClN2O/c1-8-3-4-10(14)6-12(8)16-7-11(15)13(17)5-9(16)2/h3-7H,15H2,1-2H3
InChIKeyNVUUCFKOUXICLP-UHFFFAOYSA-N
XLogP2.69
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one?
The IUPAC name of 5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one (CID 82467413) is 5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one?
The canonical SMILES for 5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one is Cc1ccc(Cl)cc1-n1cc(N)c(=O)cc1C.
What is the InChIKey of 5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one?
The InChIKey is NVUUCFKOUXICLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-3-4-10(14)6-12(8)16-7-11(15)13(17)5-9(16)2/h3-7H,15H2,1-2H3.
What are the key properties of 5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one?
5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one has a molecular weight of 248.71 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-chloro-2-methylphenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82467413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).