2-(2-bromo-4-fluorophenyl)-3-methylpyridine

C12H9BrFN — CID 71659406

IUPAC2-(2-bromo-4-fluorophenyl)-3-methylpyridine
SMILESCc1cccnc1-c1ccc(F)cc1Br
InChIInChI=1S/C12H9BrFN/c1-8-3-2-6-15-12(8)10-5-4-9(14)7-11(10)13/h2-7H,1H3
InChIKeyQFYSOYVDJRSOIX-UHFFFAOYSA-N
MW266.11 g/mol
LogP3.96
Rot. Bonds1

About 2-(2-bromo-4-fluorophenyl)-3-methylpyridine

2-(2-bromo-4-fluorophenyl)-3-methylpyridine (PubChem CID 71659406) has the molecular formula C12H9BrFN and a molecular weight of 266.11 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-3-methylpyridine
PubChem CID71659406
Molecular FormulaC12H9BrFN
Molecular Weight266.11 g/mol
Exact Mass264.99
IUPAC Name2-(2-bromo-4-fluorophenyl)-3-methylpyridine
SMILESCc1cccnc1-c1ccc(F)cc1Br
InChIInChI=1S/C12H9BrFN/c1-8-3-2-6-15-12(8)10-5-4-9(14)7-11(10)13/h2-7H,1H3
InChIKeyQFYSOYVDJRSOIX-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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Related Compounds

Brompheniramine
CID 6834
Pheniramine
CID 4761
Zimelidine
CID 5365247
5-Ethyl-2-methylpyridine
CID 7728
Dexbrompheniramine
CID 16960
2-(3-Phenylpropyl)Pyridine
CID 459494
2-Phenylpyridine
CID 13887
Zimelidine Dihydrochloride
CID 6436006
2-(Phenylmethyl)pyridine
CID 7581
2-Ethyl-5-methylpyridine
CID 519519
Nomelidine
CID 5378630
5-Hexyl-2-methyl pyridine
CID 522401

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-3-methylpyridine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-3-methylpyridine (CID 71659406) is 2-(2-bromo-4-fluorophenyl)-3-methylpyridine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-3-methylpyridine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-3-methylpyridine is Cc1cccnc1-c1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-3-methylpyridine?
The InChIKey is QFYSOYVDJRSOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN/c1-8-3-2-6-15-12(8)10-5-4-9(14)7-11(10)13/h2-7H,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-3-methylpyridine?
2-(2-bromo-4-fluorophenyl)-3-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 2-(2-bromo-4-fluorophenyl)-3-methylpyridine is sourced from PubChem (CID 71659406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).