6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid

C70H70Cl2N10O13 — CID 158975493

About 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid

6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid (PubChem CID 158975493) has the molecular formula C70H70Cl2N10O13 and a molecular weight of 1330.29 g/mol. Its IUPAC name is 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid
• PubChem CID: 158975493
• Molecular Formula: C70H70Cl2N10O13
• Molecular Weight: 1330.29 g/mol
• Exact Mass: 1328.45
• IUPAC Name: 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid
• SMILES: CCOC(=O)c1ncc(C)c(NC(=O)c2nc(-c3cccc(CO)c3)ccc2C)c1C.CCOC(=O)c1ncc(C)c(NC(=O)c2nc(Cl)ccc2C)c1C.Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)cnc(C(=O)O)c1C.Cc1ccc(Cl)nc1C(=O)O
• InChI: InChI=1S/C24H25N3O4.C22H21N3O4.C17H18ClN3O3.C7H6ClNO2/c1-5-31-24(30)22-16(4)20(15(3)12-25-22)27-23(29)21-14(2)9-10-19(26-21)18-8-6-7-17(11-18)13-28;1-12-7-8-17(16-6-4-5-15(9-16)11-26)24-19(12)21(27)25-18-13(2)10-23-20(14(18)3)22(28)29;1-5-24-17(23)15-11(4)13(10(3)8-19-15)21-16(22)14-9(2)6-7-12(18)20-14;1-4-2-3-5(8)9-6(4)7(10)11/h6-12,28H,5,13H2,1-4H3,(H,25,27,29);4-10,26H,11H2,1-3H3,(H,28,29)(H,23,25,27);6-8H,5H2,1-4H3,(H,19,21,22);2-3H,1H3,(H,10,11)
• InChIKey: JOINLDQZEHTPFN-UHFFFAOYSA-N
• XLogP: 12.73
• TPSA: 345.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1330.29
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid?

The IUPAC name of 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid (CID 158975493) is 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid.

What is the SMILES notation for 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid?

The canonical SMILES for 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid is CCOC(=O)c1ncc(C)c(NC(=O)c2nc(-c3cccc(CO)c3)ccc2C)c1C.CCOC(=O)c1ncc(C)c(NC(=O)c2nc(Cl)ccc2C)c1C.Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)cnc(C(=O)O)c1C.Cc1ccc(Cl)nc1C(=O)O.

What is the InChIKey of 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid?

The InChIKey is JOINLDQZEHTPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4.C22H21N3O4.C17H18ClN3O3.C7H6ClNO2/c1-5-31-24(30)22-16(4)20(15(3)12-25-22)27-23(29)21-14(2)9-10-19(26-21)18-8-6-7-17(11-18)13-28;1-12-7-8-17(16-6-4-5-15(9-16)11-26)24-19(12)21(27)25-18-13(2)10-23-20(14(18)3)22(28)29;1-5-24-17(23)15-11(4)13(10(3)8-19-15)21-16(22)14-9(2)6-7-12(18)20-14;1-4-2-3-5(8)9-6(4)7(10)11/h6-12,28H,5,13H2,1-4H3,(H,25,27,29);4-10,26H,11H2,1-3H3,(H,28,29)(H,23,25,27);6-8H,5H2,1-4H3,(H,19,21,22);2-3H,1H3,(H,10,11).

What are the key properties of 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid?

6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid has a molecular weight of 1330.29 g/mol, XLogP of 12.73, 16 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-methylpyridine-2-carboxylic acid;ethyl 4-[(6-chloro-3-methylpyridine-2-carbonyl)amino]-3,5-dimethylpyridine-2-carboxylate;ethyl 4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylate;4-[[6-[3-(hydroxymethyl)phenyl]-3-methylpyridine-2-carbonyl]amino]-3,5-dimethylpyridine-2-carboxylic acid is sourced from PubChem (CID 158975493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).