methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 5-methyl-4-pyridin-2-ylpyridine-2-carboxylate;bis(5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-2-ylpyridine-2-carboxamide);tributyl(pyridin-2-yl)stannane

C80H91ClN20O6Sn — CID 164996849

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

methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 5-methyl-4-pyridin-2-ylpyridine-2-carboxylate;bis(5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-2-ylpyridine-2-carboxamide);tributyl(pyridin-2-yl)stannane (PubChem CID 164996849) has the molecular formula C80H91ClN20O6Sn and a molecular weight of 1582.91 g/mol. Its IUPAC name is methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 5-methyl-4-pyridin-2-ylpyridine-2-carboxylate;bis(5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-2-ylpyridine-2-carboxamide);tributyl(pyridin-2-yl)stannane.

Molecular Properties

• Compound Name: methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 5-methyl-4-pyridin-2-ylpyridine-2-carboxylate;bis(5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-2-ylpyridine-2-carboxamide);tributyl(pyridin-2-yl)stannane
• PubChem CID: 164996849
• Molecular Formula: C80H91ClN20O6Sn
• Molecular Weight: 1582.91 g/mol
• Exact Mass: 1582.61
• IUPAC Name: methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 5-methyl-4-pyridin-2-ylpyridine-2-carboxylate;bis(5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-2-ylpyridine-2-carboxamide);tributyl(pyridin-2-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ccccn1.COC(=O)c1cc(-c2ccccn2)c(C)cn1.COC(=O)c1cc(Cl)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccccn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccccn1
• InChI: InChI=1S/2C21H20N8O.C13H12N2O2.C8H8ClNO2.C5H4N.3C4H9.Sn/c2*1-13(2)29-20(26-27-28-29)17-8-6-9-19(24-17)25-21(30)18-11-15(14(3)12-23-18)16-7-4-5-10-22-16;1-9-8-15-12(13(16)17-2)7-10(9)11-5-3-4-6-14-11;1-5-4-10-7(3-6(5)9)8(11)12-2;1-2-4-6-5-3-1;3*1-3-4-2;/h2*4-13H,1-3H3,(H,24,25,30);3-8H,1-2H3;3-4H,1-2H3;1-4H;3*1,3-4H2,2H3
• InChIKey: HRDTZRCLOJVUTI-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 326.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1582.91
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 5-methyl-4-pyridin-2-ylpyridine-2-carboxylate;bis(5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-2-ylpyridine-2-carboxamide);tributyl(pyridin-2-yl)stannane (CID 164996849) is methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 5-methyl-4-pyridin-2-ylpyridine-2-carboxylate;bis(5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-2-ylpyridine-2-carboxamide);tributyl(pyridin-2-yl)stannane.

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

The canonical SMILES for methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 5-methyl-4-pyridin-2-ylpyridine-2-carboxylate;bis(5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-2-ylpyridine-2-carboxamide);tributyl(pyridin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccccn1.COC(=O)c1cc(-c2ccccn2)c(C)cn1.COC(=O)c1cc(Cl)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccccn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccccn1.

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

The InChIKey is HRDTZRCLOJVUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20N8O.C13H12N2O2.C8H8ClNO2.C5H4N.3C4H9.Sn/c2*1-13(2)29-20(26-27-28-29)17-8-6-9-19(24-17)25-21(30)18-11-15(14(3)12-23-18)16-7-4-5-10-22-16;1-9-8-15-12(13(16)17-2)7-10(9)11-5-3-4-6-14-11;1-5-4-10-7(3-6(5)9)8(11)12-2;1-2-4-6-5-3-1;3*1-3-4-2;/h2*4-13H,1-3H3,(H,24,25,30);3-8H,1-2H3;3-4H,1-2H3;1-4H;3*1,3-4H2,2H3;.

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

methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 5-methyl-4-pyridin-2-ylpyridine-2-carboxylate;bis(5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-2-ylpyridine-2-carboxamide);tributyl(pyridin-2-yl)stannane has a molecular weight of 1582.91 g/mol, XLogP of 15.87, 23 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 5-methyl-4-pyridin-2-ylpyridine-2-carboxylate;bis(5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-4-pyridin-2-ylpyridine-2-carboxamide);tributyl(pyridin-2-yl)stannane is sourced from PubChem (CID 164996849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).