4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine

C60H65BBrF10N5O2 — CID 161436126

About 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine

4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine (PubChem CID 161436126) has the molecular formula C60H65BBrF10N5O2 and a molecular weight of 1168.91 g/mol. Its IUPAC name is 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine.

Molecular Properties

• Compound Name: 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine
• PubChem CID: 161436126
• Molecular Formula: C60H65BBrF10N5O2
• Molecular Weight: 1168.91 g/mol
• Exact Mass: 1167.43
• IUPAC Name: 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine
• SMILES: CC1CNCCC1c1ccc(F)c(F)c1.C[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1.C[C@H]1CNCC[C@H]1c1ccc(F)c(F)c1.Cc1cnccc1-c1ccc(F)c(F)c1.Cc1cnccc1Br.OB(O)c1ccc(F)c(F)c1
• InChI: InChI=1S/3C12H15F2N.C12H9F2N.C6H5BF2O2.C6H6BrN/c4*1-8-7-15-5-4-10(8)9-2-3-11(13)12(14)6-9;8-5-2-1-4(7(10)11)3-6(5)9;1-5-4-8-3-2-6(5)7/h3*2-3,6,8,10,15H,4-5,7H2,1H3;2-7H,1H3;1-3,10-11H;2-4H,1H3/t8-,10+;8-,10-;;;;/m01..../s1
• InChIKey: VYRAXXNMGZJUNT-WRGZGMMCSA-N
• XLogP: 13.17
• TPSA: 102.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1168.91
LogP ≤ 5	13.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine?

The IUPAC name of 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine (CID 161436126) is 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine.

What is the SMILES notation for 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine?

The canonical SMILES for 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine is CC1CNCCC1c1ccc(F)c(F)c1.C[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1.C[C@H]1CNCC[C@H]1c1ccc(F)c(F)c1.Cc1cnccc1-c1ccc(F)c(F)c1.Cc1cnccc1Br.OB(O)c1ccc(F)c(F)c1.

What is the InChIKey of 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine?

The InChIKey is VYRAXXNMGZJUNT-WRGZGMMCSA-N. The full InChI is InChI=1S/3C12H15F2N.C12H9F2N.C6H5BF2O2.C6H6BrN/c4*1-8-7-15-5-4-10(8)9-2-3-11(13)12(14)6-9;8-5-2-1-4(7(10)11)3-6(5)9;1-5-4-8-3-2-6(5)7/h3*2-3,6,8,10,15H,4-5,7H2,1H3;2-7H,1H3;1-3,10-11H;2-4H,1H3/t8-,10+;8-,10-;;;;/m01..../s1.

What are the key properties of 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine?

4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine has a molecular weight of 1168.91 g/mol, XLogP of 13.17, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-3-methylpyridine;(3,4-difluorophenyl)boronic acid;(3S,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;(3R,4R)-4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpiperidine;4-(3,4-difluorophenyl)-3-methylpyridine is sourced from PubChem (CID 161436126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).