azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid

C72H95BBr5N13O7 — CID 158837808

About azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid

azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid (PubChem CID 158837808) has the molecular formula C72H95BBr5N13O7 and a molecular weight of 1664.97 g/mol. Its IUPAC name is azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid.

Molecular Properties

• Compound Name: azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid
• PubChem CID: 158837808
• Molecular Formula: C72H95BBr5N13O7
• Molecular Weight: 1664.97 g/mol
• Exact Mass: 1659.35
• IUPAC Name: azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid
• SMILES: C1CNC1.CC(C)(C)OC(=O)Nc1ccc(Br)c(CBr)n1.Cc1ccc(-c2ccoc2)c(CN2CCC2)n1.Cc1ccc(Br)c(C)n1.Cc1ccc(Br)c(CN2CCC2)n1.Cc1ccc(Br)c(CN2CCC2)n1.Nc1ccc(C2CCOC2)c(CN2CCC2)n1.OB(O)c1ccoc1
• InChI: InChI=1S/C14H16N2O.C13H19N3O.C11H14Br2N2O2.2C10H13BrN2.C7H8BrN.C4H5BO3.C3H7N/c1-11-3-4-13(12-5-8-17-10-12)14(15-11)9-16-6-2-7-16;14-13-3-2-11(10-4-7-17-9-10)12(15-13)8-16-5-1-6-16;1-11(2,3)17-10(16)15-9-5-4-7(13)8(6-12)14-9;2*1-8-3-4-9(11)10(12-8)7-13-5-2-6-13;1-5-3-4-7(8)6(2)9-5;6-5(7)4-1-2-8-3-4;1-2-4-3-1/h3-5,8,10H,2,6-7,9H2,1H3;2-3,10H,1,4-9H2,(H2,14,15);4-5H,6H2,1-3H3,(H,14,15,16);2*3-4H,2,5-7H2,1H3;3-4H,1-2H3;1-3,6-7H;4H,1-3H2
• InChIKey: IXVYLBRSFOXARV-UHFFFAOYSA-N
• XLogP: 14.43
• TPSA: 242.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1664.97
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid?

The IUPAC name of azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid (CID 158837808) is azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid.

What is the SMILES notation for azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid?

The canonical SMILES for azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid is C1CNC1.CC(C)(C)OC(=O)Nc1ccc(Br)c(CBr)n1.Cc1ccc(-c2ccoc2)c(CN2CCC2)n1.Cc1ccc(Br)c(C)n1.Cc1ccc(Br)c(CN2CCC2)n1.Cc1ccc(Br)c(CN2CCC2)n1.Nc1ccc(C2CCOC2)c(CN2CCC2)n1.OB(O)c1ccoc1.

What is the InChIKey of azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid?

The InChIKey is IXVYLBRSFOXARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C13H19N3O.C11H14Br2N2O2.2C10H13BrN2.C7H8BrN.C4H5BO3.C3H7N/c1-11-3-4-13(12-5-8-17-10-12)14(15-11)9-16-6-2-7-16;14-13-3-2-11(10-4-7-17-9-10)12(15-13)8-16-5-1-6-16;1-11(2,3)17-10(16)15-9-5-4-7(13)8(6-12)14-9;2*1-8-3-4-9(11)10(12-8)7-13-5-2-6-13;1-5-3-4-7(8)6(2)9-5;6-5(7)4-1-2-8-3-4;1-2-4-3-1/h3-5,8,10H,2,6-7,9H2,1H3;2-3,10H,1,4-9H2,(H2,14,15);4-5H,6H2,1-3H3,(H,14,15,16);2*3-4H,2,5-7H2,1H3;3-4H,1-2H3;1-3,6-7H;4H,1-3H2.

What are the key properties of azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid?

azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid has a molecular weight of 1664.97 g/mol, XLogP of 14.43, 13 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for azetidine;bis(2-(azetidin-1-ylmethyl)-3-bromo-6-methylpyridine);2-(azetidin-1-ylmethyl)-3-(furan-3-yl)-6-methylpyridine;6-(azetidin-1-ylmethyl)-5-(oxolan-3-yl)pyridin-2-amine;3-bromo-2,6-dimethylpyridine;tert-butyl N-[5-bromo-6-(bromomethyl)-2-pyridinyl]carbamate;furan-3-ylboronic acid is sourced from PubChem (CID 158837808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).