3-bromo-5-phenylpyridine

C11H8BrN — CID 2762904

IUPAC3-bromo-5-phenylpyridine
SMILESBrc1cncc(-c2ccccc2)c1
InChIInChI=1S/C11H8BrN/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H
InChIKeyAWCQJXPOCRXHNK-UHFFFAOYSA-N
MW234.10 g/mol
LogP3.51
Rot. Bonds1

About 3-bromo-5-phenylpyridine

3-bromo-5-phenylpyridine (PubChem CID 2762904) has the molecular formula C11H8BrN and a molecular weight of 234.10 g/mol. Its IUPAC name is 3-bromo-5-phenylpyridine.

Molecular Properties

Compound Name3-bromo-5-phenylpyridine
PubChem CID2762904
Molecular FormulaC11H8BrN
Molecular Weight234.10 g/mol
Exact Mass232.98
IUPAC Name3-bromo-5-phenylpyridine
SMILESBrc1cncc(-c2ccccc2)c1
InChIInChI=1S/C11H8BrN/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H
InChIKeyAWCQJXPOCRXHNK-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-phenylpyridine?
The IUPAC name of 3-bromo-5-phenylpyridine (CID 2762904) is 3-bromo-5-phenylpyridine.
What is the SMILES notation for 3-bromo-5-phenylpyridine?
The canonical SMILES for 3-bromo-5-phenylpyridine is Brc1cncc(-c2ccccc2)c1.
What is the InChIKey of 3-bromo-5-phenylpyridine?
The InChIKey is AWCQJXPOCRXHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 3-bromo-5-phenylpyridine?
3-bromo-5-phenylpyridine has a molecular weight of 234.10 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-phenylpyridine is sourced from PubChem (CID 2762904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).