3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid

C66H55N15O20 — CID 157143557

About 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid

3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid (PubChem CID 157143557) has the molecular formula C66H55N15O20 and a molecular weight of 1378.25 g/mol. Its IUPAC name is 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid
• PubChem CID: 157143557
• Molecular Formula: C66H55N15O20
• Molecular Weight: 1378.25 g/mol
• Exact Mass: 1377.37
• IUPAC Name: 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid
• SMILES: Cc1cccc(C(=O)O)n1.Cc1cccnc1C(=O)O.Cc1ccnc(C(=O)O)c1.O=C(O)c1ccc2ccccc2n1.O=C(O)c1cccc2cccnc12.O=C(O)c1ccccn1.O=C(O)c1ccncn1.O=C(O)c1cnccn1.O=C(O)c1ncccn1.O=C(O)c1ncncn1
• InChI: InChI=1S/2C10H7NO2.3C7H7NO2.C6H5NO2.3C5H4N2O2.C4H3N3O2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8;12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;1-5-2-3-8-6(4-5)7(9)10;1-5-3-2-4-8-6(5)7(9)10;1-5-3-2-4-6(8-5)7(9)10;8-6(9)5-3-1-2-4-7-5;8-5(9)4-3-6-1-2-7-4;8-5(9)4-1-2-6-3-7-4;8-5(9)4-6-2-1-3-7-4;8-4(9)3-6-1-5-2-7-3/h2*1-6H,(H,12,13);3*2-4H,1H3,(H,9,10);1-4H,(H,8,9);3*1-3H,(H,8,9);1-2H,(H,8,9)
• InChIKey: AKLLNQBSRLXKQE-UHFFFAOYSA-N
• XLogP: 8.00
• TPSA: 566.35 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1378.25
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid?

The IUPAC name of 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid (CID 157143557) is 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid.

What is the SMILES notation for 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid?

The canonical SMILES for 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid is Cc1cccc(C(=O)O)n1.Cc1cccnc1C(=O)O.Cc1ccnc(C(=O)O)c1.O=C(O)c1ccc2ccccc2n1.O=C(O)c1cccc2cccnc12.O=C(O)c1ccccn1.O=C(O)c1ccncn1.O=C(O)c1cnccn1.O=C(O)c1ncccn1.O=C(O)c1ncncn1.

What is the InChIKey of 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid?

The InChIKey is AKLLNQBSRLXKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H7NO2.3C7H7NO2.C6H5NO2.3C5H4N2O2.C4H3N3O2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8;12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;1-5-2-3-8-6(4-5)7(9)10;1-5-3-2-4-8-6(5)7(9)10;1-5-3-2-4-6(8-5)7(9)10;8-6(9)5-3-1-2-4-7-5;8-5(9)4-3-6-1-2-7-4;8-5(9)4-1-2-6-3-7-4;8-5(9)4-6-2-1-3-7-4;8-4(9)3-6-1-5-2-7-3/h2*1-6H,(H,12,13);3*2-4H,1H3,(H,9,10);1-4H,(H,8,9);3*1-3H,(H,8,9);1-2H,(H,8,9).

What are the key properties of 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid?

3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid has a molecular weight of 1378.25 g/mol, XLogP of 8.00, 10 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methylpyridine-2-carboxylic acid;4-methylpyridine-2-carboxylic acid;6-methylpyridine-2-carboxylic acid;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;pyrimidine-2-carboxylic acid;pyrimidine-4-carboxylic acid;quinoline-2-carboxylic acid;quinoline-8-carboxylic acid;1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 157143557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).