acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane

C78H128Br3N7O8Sn — CID 161234815

About acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane

acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane (PubChem CID 161234815) has the molecular formula C78H128Br3N7O8Sn and a molecular weight of 1650.35 g/mol. Its IUPAC name is acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane.

Molecular Properties

• Compound Name: acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane
• PubChem CID: 161234815
• Molecular Formula: C78H128Br3N7O8Sn
• Molecular Weight: 1650.35 g/mol
• Exact Mass: 1647.64
• IUPAC Name: acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane
• SMILES: C.C.C.C=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1ncccc1C.CC(=O)O.CC(=O)c1ncccc1C.CC(C)(C)N.Cc1cccnc1Br.Cc1cccnc1C(=O)CBr.Cc1cccnc1[C@@H](O)CBr.Cc1cccnc1[C@@H](O)CCC(C)(C)C
• InChI: InChI=1S/C13H21NO.C10H13NO.C8H10BrNO.C8H8BrNO.C8H9NO.C6H6BrN.C4H11N.C4H7O.3C4H9.C2H4O2.3CH4.Sn/c1-10-6-5-9-14-12(10)11(15)7-8-13(2,3)4;1-4-12-9(3)10-8(2)6-5-7-11-10;2*1-6-3-2-4-10-8(6)7(11)5-9;1-6-4-3-5-9-8(6)7(2)10;1-5-3-2-4-8-6(5)7;1-4(2,3)5;1-3-5-4-2;3*1-3-4-2;1-2(3)4;;;;/h5-6,9,11,15H,7-8H2,1-4H3;5-7H,3-4H2,1-2H3;2-4,7,11H,5H2,1H3;2-4H,5H2,1H3;3-5H,1-2H3;2-4H,1H3;5H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;1H3,(H,3,4);3*1H4;/t11-;;7-;;;;;;;;;;;;;/m0.0............./s1
• InChIKey: LWKJUFOPUQEXPT-QDLANIPCSA-N
• XLogP: 21.85
• TPSA: 233.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1650.35
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane?

The IUPAC name of acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane (CID 161234815) is acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane.

What is the SMILES notation for acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane?

The canonical SMILES for acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane is C.C.C.C=C(OCC)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1ncccc1C.CC(=O)O.CC(=O)c1ncccc1C.CC(C)(C)N.Cc1cccnc1Br.Cc1cccnc1C(=O)CBr.Cc1cccnc1[C@@H](O)CBr.Cc1cccnc1[C@@H](O)CCC(C)(C)C.

What is the InChIKey of acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane?

The InChIKey is LWKJUFOPUQEXPT-QDLANIPCSA-N. The full InChI is InChI=1S/C13H21NO.C10H13NO.C8H10BrNO.C8H8BrNO.C8H9NO.C6H6BrN.C4H11N.C4H7O.3C4H9.C2H4O2.3CH4.Sn/c1-10-6-5-9-14-12(10)11(15)7-8-13(2,3)4;1-4-12-9(3)10-8(2)6-5-7-11-10;2*1-6-3-2-4-10-8(6)7(11)5-9;1-6-4-3-5-9-8(6)7(2)10;1-5-3-2-4-8-6(5)7;1-4(2,3)5;1-3-5-4-2;3*1-3-4-2;1-2(3)4;;;;/h5-6,9,11,15H,7-8H2,1-4H3;5-7H,3-4H2,1-2H3;2-4,7,11H,5H2,1H3;2-4H,5H2,1H3;3-5H,1-2H3;2-4H,1H3;5H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;1H3,(H,3,4);3*1H4;/t11-;;7-;;;;;;;;;;;;;/m0.0............./s1.

What are the key properties of acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane?

acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane has a molecular weight of 1650.35 g/mol, XLogP of 21.85, 23 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;2-bromo-3-methylpyridine;(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol;2-bromo-1-(3-methyl-2-pyridinyl)ethanone;(1S)-4,4-dimethyl-1-(3-methyl-2-pyridinyl)pentan-1-ol;2-(1-ethoxyethenyl)-3-methylpyridine;methane;2-methylpropan-2-amine;1-(3-methyl-2-pyridinyl)ethanone;tributyl(1-ethoxyethenyl)stannane is sourced from PubChem (CID 161234815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).