5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane

C60H67BrF3N9O5Sn — CID 159694842

About 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane

5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane (PubChem CID 159694842) has the molecular formula C60H67BrF3N9O5Sn and a molecular weight of 1249.86 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane.

Molecular Properties

• Compound Name: 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane
• PubChem CID: 159694842
• Molecular Formula: C60H67BrF3N9O5Sn
• Molecular Weight: 1249.86 g/mol
• Exact Mass: 1249.34
• IUPAC Name: 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ccccn1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccccn1.Cc1cc(F)c(C(=O)O)cc1-c1ccccn1.Cc1cc(F)c(C(=O)O)cc1Br
• InChI: InChI=1S/C22H20FN7O.C13H10FNO2.C8H6BrFO2.C5H4N.3C4H9.Sn/c1-13(2)30-21(27-28-29-30)19-8-6-9-20(25-19)26-22(31)16-12-15(14(3)11-17(16)23)18-7-4-5-10-24-18;1-8-6-11(14)10(13(16)17)7-9(8)12-4-2-3-5-15-12;1-4-2-7(10)5(8(11)12)3-6(4)9;1-2-4-6-5-3-1;3*1-3-4-2;/h4-13H,1-3H3,(H,25,26,31);2-7H,1H3,(H,16,17);2-3H,1H3,(H,11,12);1-4H;3*1,3-4H2,2H3
• InChIKey: MWWJTORDAQGCQG-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 198.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1249.86
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane?

The IUPAC name of 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane (CID 159694842) is 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane.

What is the SMILES notation for 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane?

The canonical SMILES for 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccccn1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1ccccn1.Cc1cc(F)c(C(=O)O)cc1-c1ccccn1.Cc1cc(F)c(C(=O)O)cc1Br.

What is the InChIKey of 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane?

The InChIKey is MWWJTORDAQGCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O.C13H10FNO2.C8H6BrFO2.C5H4N.3C4H9.Sn/c1-13(2)30-21(27-28-29-30)19-8-6-9-20(25-19)26-22(31)16-12-15(14(3)11-17(16)23)18-7-4-5-10-24-18;1-8-6-11(14)10(13(16)17)7-9(8)12-4-2-3-5-15-12;1-4-2-7(10)5(8(11)12)3-6(4)9;1-2-4-6-5-3-1;3*1-3-4-2;/h4-13H,1-3H3,(H,25,26,31);2-7H,1H3,(H,16,17);2-3H,1H3,(H,11,12);1-4H;3*1,3-4H2,2H3;.

What are the key properties of 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane?

5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane has a molecular weight of 1249.86 g/mol, XLogP of 14.70, 18 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-fluoro-4-methylbenzoic acid;2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-5-pyridin-2-ylbenzamide;2-fluoro-4-methyl-5-pyridin-2-ylbenzoic acid;tributyl(pyridin-2-yl)stannane is sourced from PubChem (CID 159694842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).