3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine

C8H9BrFNO — CID 89494911

IUPAC3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine
SMILESCOc1cc(CF)c(Br)c(C)n1
InChIInChI=1S/C8H9BrFNO/c1-5-8(9)6(4-10)3-7(11-5)12-2/h3H,4H2,1-2H3
InChIKeyZAECKJAPLRJJGU-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.63
Rot. Bonds2

About 3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine

3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine (PubChem CID 89494911) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine.

Molecular Properties

Compound Name3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine
PubChem CID89494911
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine
SMILESCOc1cc(CF)c(Br)c(C)n1
InChIInChI=1S/C8H9BrFNO/c1-5-8(9)6(4-10)3-7(11-5)12-2/h3H,4H2,1-2H3
InChIKeyZAECKJAPLRJJGU-UHFFFAOYSA-N
XLogP2.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine?
The IUPAC name of 3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine (CID 89494911) is 3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine.
What is the SMILES notation for 3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine?
The canonical SMILES for 3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine is COc1cc(CF)c(Br)c(C)n1.
What is the InChIKey of 3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine?
The InChIKey is ZAECKJAPLRJJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-5-8(9)6(4-10)3-7(11-5)12-2/h3H,4H2,1-2H3.
What are the key properties of 3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine?
3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine has a molecular weight of 234.07 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(fluoromethyl)-6-methoxy-2-methylpyridine is sourced from PubChem (CID 89494911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).