5-bromo-2-methoxy-4-methylpyridine

C7H8BrNO — CID 4178002

IUPAC5-bromo-2-methoxy-4-methylpyridine
SMILESCOc1cc(C)c(Br)cn1
InChIInChI=1S/C7H8BrNO/c1-5-3-7(10-2)9-4-6(5)8/h3-4H,1-2H3
InChIKeyHTBPXLJKMNBQMS-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.16
Rot. Bonds1

About 5-bromo-2-methoxy-4-methylpyridine

5-bromo-2-methoxy-4-methylpyridine (PubChem CID 4178002) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-methylpyridine
PubChem CID4178002
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name5-bromo-2-methoxy-4-methylpyridine
SMILESCOc1cc(C)c(Br)cn1
InChIInChI=1S/C7H8BrNO/c1-5-3-7(10-2)9-4-6(5)8/h3-4H,1-2H3
InChIKeyHTBPXLJKMNBQMS-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 5-bromo-2-methoxy-4-methylpyridine?
The IUPAC name of 5-bromo-2-methoxy-4-methylpyridine (CID 4178002) is 5-bromo-2-methoxy-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-methoxy-4-methylpyridine?
The canonical SMILES for 5-bromo-2-methoxy-4-methylpyridine is COc1cc(C)c(Br)cn1.
What is the InChIKey of 5-bromo-2-methoxy-4-methylpyridine?
The InChIKey is HTBPXLJKMNBQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-5-3-7(10-2)9-4-6(5)8/h3-4H,1-2H3.
What are the key properties of 5-bromo-2-methoxy-4-methylpyridine?
5-bromo-2-methoxy-4-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 5-bromo-2-methoxy-4-methylpyridine is sourced from PubChem (CID 4178002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).