4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid

C62H50Cl3N5O8 — CID 159647810

About 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid

4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid (PubChem CID 159647810) has the molecular formula C62H50Cl3N5O8 and a molecular weight of 1099.47 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid
• PubChem CID: 159647810
• Molecular Formula: C62H50Cl3N5O8
• Molecular Weight: 1099.47 g/mol
• Exact Mass: 1097.27
• IUPAC Name: 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid
• SMILES: CCOC(=O)c1cc(Cl)cc(-c2ccccc2)n1.Cc1cc(=O)cc(-c2ccccc2)[nH]1.Cc1cc(Cl)cc(-c2ccccc2)n1.O=C(O)c1cc(=O)cc(-c2ccccc2)[nH]1.O=C(O)c1cc(Cl)cc(-c2ccccc2)n1
• InChI: InChI=1S/C14H12ClNO2.C12H8ClNO2.C12H10ClN.C12H9NO3.C12H11NO/c1-2-18-14(17)13-9-11(15)8-12(16-13)10-6-4-3-5-7-10;13-9-6-10(8-4-2-1-3-5-8)14-11(7-9)12(15)16;1-9-7-11(13)8-12(14-9)10-5-3-2-4-6-10;14-9-6-10(8-4-2-1-3-5-8)13-11(7-9)12(15)16;1-9-7-11(14)8-12(13-9)10-5-3-2-4-6-10/h3-9H,2H2,1H3;1-7H,(H,15,16);2-8H,1H3;1-7H,(H,13,14)(H,15,16);2-8H,1H3,(H,13,14)
• InChIKey: MREGPEKOSDIHCI-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 205.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1099.47
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid?

The IUPAC name of 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid (CID 159647810) is 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid.

What is the SMILES notation for 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid?

The canonical SMILES for 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid is CCOC(=O)c1cc(Cl)cc(-c2ccccc2)n1.Cc1cc(=O)cc(-c2ccccc2)[nH]1.Cc1cc(Cl)cc(-c2ccccc2)n1.O=C(O)c1cc(=O)cc(-c2ccccc2)[nH]1.O=C(O)c1cc(Cl)cc(-c2ccccc2)n1.

What is the InChIKey of 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid?

The InChIKey is MREGPEKOSDIHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2.C12H8ClNO2.C12H10ClN.C12H9NO3.C12H11NO/c1-2-18-14(17)13-9-11(15)8-12(16-13)10-6-4-3-5-7-10;13-9-6-10(8-4-2-1-3-5-8)14-11(7-9)12(15)16;1-9-7-11(13)8-12(14-9)10-5-3-2-4-6-10;14-9-6-10(8-4-2-1-3-5-8)13-11(7-9)12(15)16;1-9-7-11(14)8-12(13-9)10-5-3-2-4-6-10/h3-9H,2H2,1H3;1-7H,(H,15,16);2-8H,1H3;1-7H,(H,13,14)(H,15,16);2-8H,1H3,(H,13,14).

What are the key properties of 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid?

4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid has a molecular weight of 1099.47 g/mol, XLogP of 14.48, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-methyl-6-phenylpyridine;4-chloro-6-phenylpyridine-2-carboxylic acid;ethyl 4-chloro-6-phenylpyridine-2-carboxylate;2-methyl-6-phenyl-1H-pyridin-4-one;4-oxo-6-phenyl-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 159647810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).