methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid

C46H44BClN12O7 — CID 161015606

About methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid

methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid (PubChem CID 161015606) has the molecular formula C46H44BClN12O7 and a molecular weight of 923.20 g/mol. Its IUPAC name is methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid.

Molecular Properties

• Compound Name: methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid
• PubChem CID: 161015606
• Molecular Formula: C46H44BClN12O7
• Molecular Weight: 923.20 g/mol
• Exact Mass: 922.32
• IUPAC Name: methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid
• SMILES: COC(=O)c1cc(Cl)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccncc1.Cc1cnc(C(=O)O)cc1-c1ccncc1.OB(O)c1ccncc1
• InChI: InChI=1S/C21H20N8O.C12H10N2O2.C8H8ClNO2.C5H6BNO2/c1-13(2)29-20(26-27-28-29)17-5-4-6-19(24-17)25-21(30)18-11-16(14(3)12-23-18)15-7-9-22-10-8-15;1-8-7-14-11(12(15)16)6-10(8)9-2-4-13-5-3-9;1-5-4-10-7(3-6(5)9)8(11)12-2;8-6(9)5-1-3-7-4-2-5/h4-13H,1-3H3,(H,24,25,30);2-7H,1H3,(H,15,16);3-4H,1-2H3;1-4,8-9H
• InChIKey: TXRJAWBUWLAXPH-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 266.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.20
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid?

The IUPAC name of methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid (CID 161015606) is methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid.

What is the SMILES notation for methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid?

The canonical SMILES for methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid is COC(=O)c1cc(Cl)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccncc1.Cc1cnc(C(=O)O)cc1-c1ccncc1.OB(O)c1ccncc1.

What is the InChIKey of methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid?

The InChIKey is TXRJAWBUWLAXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O.C12H10N2O2.C8H8ClNO2.C5H6BNO2/c1-13(2)29-20(26-27-28-29)17-5-4-6-19(24-17)25-21(30)18-11-16(14(3)12-23-18)15-7-9-22-10-8-15;1-8-7-14-11(12(15)16)6-10(8)9-2-4-13-5-3-9;1-5-4-10-7(3-6(5)9)8(11)12-2;8-6(9)5-1-3-7-4-2-5/h4-13H,1-3H3,(H,24,25,30);2-7H,1H3,(H,15,16);3-4H,1-2H3;1-4,8-9H.

What are the key properties of methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid?

methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid has a molecular weight of 923.20 g/mol, XLogP of 6.08, 9 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-chloro-5-methylpyridine-2-carboxylate;5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-4-ylpyridine-2-carboxamide;5-methyl-4-pyridin-4-ylpyridine-2-carboxylic acid;pyridin-4-ylboronic acid is sourced from PubChem (CID 161015606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).