4-bromo-3-methoxy-5-methylpyridine

C7H8BrNO — CID 118804882

IUPAC4-bromo-3-methoxy-5-methylpyridine
SMILESCOc1cncc(C)c1Br
InChIInChI=1S/C7H8BrNO/c1-5-3-9-4-6(10-2)7(5)8/h3-4H,1-2H3
InChIKeyPOWRAPBFZSXKLR-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.16
Rot. Bonds1

About 4-bromo-3-methoxy-5-methylpyridine

4-bromo-3-methoxy-5-methylpyridine (PubChem CID 118804882) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 4-bromo-3-methoxy-5-methylpyridine.

Molecular Properties

Compound Name4-bromo-3-methoxy-5-methylpyridine
PubChem CID118804882
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name4-bromo-3-methoxy-5-methylpyridine
SMILESCOc1cncc(C)c1Br
InChIInChI=1S/C7H8BrNO/c1-5-3-9-4-6(10-2)7(5)8/h3-4H,1-2H3
InChIKeyPOWRAPBFZSXKLR-UHFFFAOYSA-N
XLogP2.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methoxy-5-methylpyridine?
The IUPAC name of 4-bromo-3-methoxy-5-methylpyridine (CID 118804882) is 4-bromo-3-methoxy-5-methylpyridine.
What is the SMILES notation for 4-bromo-3-methoxy-5-methylpyridine?
The canonical SMILES for 4-bromo-3-methoxy-5-methylpyridine is COc1cncc(C)c1Br.
What is the InChIKey of 4-bromo-3-methoxy-5-methylpyridine?
The InChIKey is POWRAPBFZSXKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-3-9-4-6(10-2)7(5)8/h3-4H,1-2H3.
What are the key properties of 4-bromo-3-methoxy-5-methylpyridine?
4-bromo-3-methoxy-5-methylpyridine has a molecular weight of 202.05 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methoxy-5-methylpyridine is sourced from PubChem (CID 118804882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).