3-bromo-5-(difluoromethoxy)-4-methylpyridine

C7H6BrF2NO — CID 121227905

IUPAC3-bromo-5-(difluoromethoxy)-4-methylpyridine
SMILESCc1c(Br)cncc1OC(F)F
InChIInChI=1S/C7H6BrF2NO/c1-4-5(8)2-11-3-6(4)12-7(9)10/h2-3,7H,1H3
InChIKeyZIILORLFZFINAD-UHFFFAOYSA-N
MW238.03 g/mol
LogP2.75
Rot. Bonds2

About 3-bromo-5-(difluoromethoxy)-4-methylpyridine

3-bromo-5-(difluoromethoxy)-4-methylpyridine (PubChem CID 121227905) has the molecular formula C7H6BrF2NO and a molecular weight of 238.03 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethoxy)-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-5-(difluoromethoxy)-4-methylpyridine
PubChem CID121227905
Molecular FormulaC7H6BrF2NO
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Name3-bromo-5-(difluoromethoxy)-4-methylpyridine
SMILESCc1c(Br)cncc1OC(F)F
InChIInChI=1S/C7H6BrF2NO/c1-4-5(8)2-11-3-6(4)12-7(9)10/h2-3,7H,1H3
InChIKeyZIILORLFZFINAD-UHFFFAOYSA-N
XLogP2.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethoxy)-4-methylpyridine?
The IUPAC name of 3-bromo-5-(difluoromethoxy)-4-methylpyridine (CID 121227905) is 3-bromo-5-(difluoromethoxy)-4-methylpyridine.
What is the SMILES notation for 3-bromo-5-(difluoromethoxy)-4-methylpyridine?
The canonical SMILES for 3-bromo-5-(difluoromethoxy)-4-methylpyridine is Cc1c(Br)cncc1OC(F)F.
What is the InChIKey of 3-bromo-5-(difluoromethoxy)-4-methylpyridine?
The InChIKey is ZIILORLFZFINAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO/c1-4-5(8)2-11-3-6(4)12-7(9)10/h2-3,7H,1H3.
What are the key properties of 3-bromo-5-(difluoromethoxy)-4-methylpyridine?
3-bromo-5-(difluoromethoxy)-4-methylpyridine has a molecular weight of 238.03 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethoxy)-4-methylpyridine is sourced from PubChem (CID 121227905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).