4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C18H24BBrN2O2 — CID 160551726

IUPAC4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1cc(Br)ccn1
InChIInChI=1S/C12H18BNO2.C6H6BrN/c1-9-8-10(6-7-14-9)13-15-11(2,3)12(4,5)16-13;1-5-4-6(7)2-3-8-5/h6-8H,1-5H3;2-4H,1H3
InChIKeyQYDXZCXCODLZFM-UHFFFAOYSA-N
MW391.12 g/mol
LogP3.84
Rot. Bonds1

About 4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 160551726) has the molecular formula C18H24BBrN2O2 and a molecular weight of 391.12 g/mol. Its IUPAC name is 4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID160551726
Molecular FormulaC18H24BBrN2O2
Molecular Weight391.12 g/mol
Exact Mass390.11
IUPAC Name4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1cc(Br)ccn1
InChIInChI=1S/C12H18BNO2.C6H6BrN/c1-9-8-10(6-7-14-9)13-15-11(2,3)12(4,5)16-13;1-5-4-6(7)2-3-8-5/h6-8H,1-5H3;2-4H,1H3
InChIKeyQYDXZCXCODLZFM-UHFFFAOYSA-N
XLogP3.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.12
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 2794715
2-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 12067061
2-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 12060163
3-Bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 12067062
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 16414272
2-Methylpyridine-4-boronic acid pinacol ester
CID 16414274
2-(Trifluoromethyl)pyridine-4-boronic acid, pinacol ester
CID 45785708
2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 45786526
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine
CID 53482118
2-((E)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl)pyridine
CID 72208460
2-Methylpyridine-3-boronic acid, pinacol ester
CID 16414271
3-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 44755155

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 160551726) is 4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.Cc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is QYDXZCXCODLZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BNO2.C6H6BrN/c1-9-8-10(6-7-14-9)13-15-11(2,3)12(4,5)16-13;1-5-4-6(7)2-3-8-5/h6-8H,1-5H3;2-4H,1H3.
What are the key properties of 4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 391.12 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylpyridine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 160551726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).