3-(2-bromo-6-fluorophenyl)-2-methylpyridine

C12H9BrFN — CID 125456196

IUPAC3-(2-bromo-6-fluorophenyl)-2-methylpyridine
SMILESCc1ncccc1-c1c(F)cccc1Br
InChIInChI=1S/C12H9BrFN/c1-8-9(4-3-7-15-8)12-10(13)5-2-6-11(12)14/h2-7H,1H3
InChIKeyIKWNHEZHHWYGQN-UHFFFAOYSA-N
MW266.11 g/mol
LogP3.96
Rot. Bonds1

About 3-(2-bromo-6-fluorophenyl)-2-methylpyridine

3-(2-bromo-6-fluorophenyl)-2-methylpyridine (PubChem CID 125456196) has the molecular formula C12H9BrFN and a molecular weight of 266.11 g/mol. Its IUPAC name is 3-(2-bromo-6-fluorophenyl)-2-methylpyridine.

Molecular Properties

Compound Name3-(2-bromo-6-fluorophenyl)-2-methylpyridine
PubChem CID125456196
Molecular FormulaC12H9BrFN
Molecular Weight266.11 g/mol
Exact Mass264.99
IUPAC Name3-(2-bromo-6-fluorophenyl)-2-methylpyridine
SMILESCc1ncccc1-c1c(F)cccc1Br
InChIInChI=1S/C12H9BrFN/c1-8-9(4-3-7-15-8)12-10(13)5-2-6-11(12)14/h2-7H,1H3
InChIKeyIKWNHEZHHWYGQN-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-fluorophenyl)-2-methylpyridine?
The IUPAC name of 3-(2-bromo-6-fluorophenyl)-2-methylpyridine (CID 125456196) is 3-(2-bromo-6-fluorophenyl)-2-methylpyridine.
What is the SMILES notation for 3-(2-bromo-6-fluorophenyl)-2-methylpyridine?
The canonical SMILES for 3-(2-bromo-6-fluorophenyl)-2-methylpyridine is Cc1ncccc1-c1c(F)cccc1Br.
What is the InChIKey of 3-(2-bromo-6-fluorophenyl)-2-methylpyridine?
The InChIKey is IKWNHEZHHWYGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN/c1-8-9(4-3-7-15-8)12-10(13)5-2-6-11(12)14/h2-7H,1H3.
What are the key properties of 3-(2-bromo-6-fluorophenyl)-2-methylpyridine?
3-(2-bromo-6-fluorophenyl)-2-methylpyridine has a molecular weight of 266.11 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-fluorophenyl)-2-methylpyridine is sourced from PubChem (CID 125456196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).