3-bromo-2,6-dimethyl-5-phenylpyridine

C13H12BrN — CID 134973679

IUPAC3-bromo-2,6-dimethyl-5-phenylpyridine
SMILESCc1nc(C)c(-c2ccccc2)cc1Br
InChIInChI=1S/C13H12BrN/c1-9-12(8-13(14)10(2)15-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyUIYAOQJBJARLRB-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.13
Rot. Bonds1

About 3-bromo-2,6-dimethyl-5-phenylpyridine

3-bromo-2,6-dimethyl-5-phenylpyridine (PubChem CID 134973679) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 3-bromo-2,6-dimethyl-5-phenylpyridine.

Molecular Properties

Compound Name3-bromo-2,6-dimethyl-5-phenylpyridine
PubChem CID134973679
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name3-bromo-2,6-dimethyl-5-phenylpyridine
SMILESCc1nc(C)c(-c2ccccc2)cc1Br
InChIInChI=1S/C13H12BrN/c1-9-12(8-13(14)10(2)15-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyUIYAOQJBJARLRB-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethyl-5-phenylpyridine?
The IUPAC name of 3-bromo-2,6-dimethyl-5-phenylpyridine (CID 134973679) is 3-bromo-2,6-dimethyl-5-phenylpyridine.
What is the SMILES notation for 3-bromo-2,6-dimethyl-5-phenylpyridine?
The canonical SMILES for 3-bromo-2,6-dimethyl-5-phenylpyridine is Cc1nc(C)c(-c2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-2,6-dimethyl-5-phenylpyridine?
The InChIKey is UIYAOQJBJARLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c1-9-12(8-13(14)10(2)15-9)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 3-bromo-2,6-dimethyl-5-phenylpyridine?
3-bromo-2,6-dimethyl-5-phenylpyridine has a molecular weight of 262.15 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dimethyl-5-phenylpyridine is sourced from PubChem (CID 134973679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).