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

C8H9BrFNO — CID 89494954

IUPAC3-bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine
SMILESCOc1nc(CF)cc(C)c1Br
InChIInChI=1S/C8H9BrFNO/c1-5-3-6(4-10)11-8(12-2)7(5)9/h3H,4H2,1-2H3
InChIKeyCVAZFTVAIVUYBC-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.63
Rot. Bonds2

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

3-bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine (PubChem CID 89494954) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 3-bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine
PubChem CID89494954
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name3-bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine
SMILESCOc1nc(CF)cc(C)c1Br
InChIInChI=1S/C8H9BrFNO/c1-5-3-6(4-10)11-8(12-2)7(5)9/h3H,4H2,1-2H3
InChIKeyCVAZFTVAIVUYBC-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-6-(fluoromethyl)-2-methoxy-4-methylpyridine?
The IUPAC name of 3-bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine (CID 89494954) is 3-bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine.
What is the SMILES notation for 3-bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine?
The canonical SMILES for 3-bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine is COc1nc(CF)cc(C)c1Br.
What is the InChIKey of 3-bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine?
The InChIKey is CVAZFTVAIVUYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-5-3-6(4-10)11-8(12-2)7(5)9/h3H,4H2,1-2H3.
What are the key properties of 3-bromo-6-(fluoromethyl)-2-methoxy-4-methylpyridine?
3-bromo-6-(fluoromethyl)-2-methoxy-4-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-6-(fluoromethyl)-2-methoxy-4-methylpyridine is sourced from PubChem (CID 89494954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).