2-bromo-3-cyclobutyloxy-4-phenylpyridine

C15H14BrNO — CID 177233608

IUPAC2-bromo-3-cyclobutyloxy-4-phenylpyridine
SMILESBrc1nccc(-c2ccccc2)c1OC1CCC1
InChIInChI=1S/C15H14BrNO/c16-15-14(18-12-7-4-8-12)13(9-10-17-15)11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2
InChIKeyQXNXDNPYYOUOIC-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.44
Rot. Bonds3

About 2-bromo-3-cyclobutyloxy-4-phenylpyridine

2-bromo-3-cyclobutyloxy-4-phenylpyridine (PubChem CID 177233608) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-bromo-3-cyclobutyloxy-4-phenylpyridine.

Molecular Properties

Compound Name2-bromo-3-cyclobutyloxy-4-phenylpyridine
PubChem CID177233608
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name2-bromo-3-cyclobutyloxy-4-phenylpyridine
SMILESBrc1nccc(-c2ccccc2)c1OC1CCC1
InChIInChI=1S/C15H14BrNO/c16-15-14(18-12-7-4-8-12)13(9-10-17-15)11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2
InChIKeyQXNXDNPYYOUOIC-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-cyclobutyloxy-4-phenylpyridine?
The IUPAC name of 2-bromo-3-cyclobutyloxy-4-phenylpyridine (CID 177233608) is 2-bromo-3-cyclobutyloxy-4-phenylpyridine.
What is the SMILES notation for 2-bromo-3-cyclobutyloxy-4-phenylpyridine?
The canonical SMILES for 2-bromo-3-cyclobutyloxy-4-phenylpyridine is Brc1nccc(-c2ccccc2)c1OC1CCC1.
What is the InChIKey of 2-bromo-3-cyclobutyloxy-4-phenylpyridine?
The InChIKey is QXNXDNPYYOUOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-15-14(18-12-7-4-8-12)13(9-10-17-15)11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2.
What are the key properties of 2-bromo-3-cyclobutyloxy-4-phenylpyridine?
2-bromo-3-cyclobutyloxy-4-phenylpyridine has a molecular weight of 304.19 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-cyclobutyloxy-4-phenylpyridine is sourced from PubChem (CID 177233608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).