2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine

C16H18BBr3N2O2 — CID 161133863

IUPAC2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine
SMILESBrc1cccc(Br)n1.Brc1cccc(C2CC2)n1.OB(O)C1CC1
InChIInChI=1S/C8H8BrN.C5H3Br2N.C3H7BO2/c9-8-3-1-2-7(10-8)6-4-5-6;6-4-2-1-3-5(7)8-4;5-4(6)3-1-2-3/h1-3,6H,4-5H2;1-3H;3,5-6H,1-2H2
InChIKeyUMNRORACTHWXSY-UHFFFAOYSA-N
MW520.86 g/mol
LogP4.95
Rot. Bonds2

About 2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine

2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine (PubChem CID 161133863) has the molecular formula C16H18BBr3N2O2 and a molecular weight of 520.86 g/mol. Its IUPAC name is 2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine.

Molecular Properties

Compound Name2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine
PubChem CID161133863
Molecular FormulaC16H18BBr3N2O2
Molecular Weight520.86 g/mol
Exact Mass517.90
IUPAC Name2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine
SMILESBrc1cccc(Br)n1.Brc1cccc(C2CC2)n1.OB(O)C1CC1
InChIInChI=1S/C8H8BrN.C5H3Br2N.C3H7BO2/c9-8-3-1-2-7(10-8)6-4-5-6;6-4-2-1-3-5(7)8-4;5-4(6)3-1-2-3/h1-3,6H,4-5H2;1-3H;3,5-6H,1-2H2
InChIKeyUMNRORACTHWXSY-UHFFFAOYSA-N
XLogP4.95
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.86
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine?
The IUPAC name of 2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine (CID 161133863) is 2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine.
What is the SMILES notation for 2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine?
The canonical SMILES for 2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine is Brc1cccc(Br)n1.Brc1cccc(C2CC2)n1.OB(O)C1CC1.
What is the InChIKey of 2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine?
The InChIKey is UMNRORACTHWXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN.C5H3Br2N.C3H7BO2/c9-8-3-1-2-7(10-8)6-4-5-6;6-4-2-1-3-5(7)8-4;5-4(6)3-1-2-3/h1-3,6H,4-5H2;1-3H;3,5-6H,1-2H2.
What are the key properties of 2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine?
2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine has a molecular weight of 520.86 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-cyclopropylpyridine;cyclopropylboronic acid;2,6-dibromopyridine is sourced from PubChem (CID 161133863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).