3-bromo-4-methylpyridine

C6H6BrN — CID 817630

IUPAC3-bromo-4-methylpyridine
SMILESCc1ccncc1Br
InChIInChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
InChIKeyGSQZOLXWFQQJHJ-UHFFFAOYSA-N
MW172.03 g/mol
LogP2.15
Rot. Bonds

About 3-bromo-4-methylpyridine

3-bromo-4-methylpyridine (PubChem CID 817630) has the molecular formula C6H6BrN and a molecular weight of 172.03 g/mol. Its IUPAC name is 3-bromo-4-methylpyridine.

Molecular Properties

Compound Name3-bromo-4-methylpyridine
PubChem CID817630
Molecular FormulaC6H6BrN
Molecular Weight172.03 g/mol
Exact Mass170.97
IUPAC Name3-bromo-4-methylpyridine
SMILESCc1ccncc1Br
InChIInChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
InChIKeyGSQZOLXWFQQJHJ-UHFFFAOYSA-N
XLogP2.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.03
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methylpyridine?
The IUPAC name of 3-bromo-4-methylpyridine (CID 817630) is 3-bromo-4-methylpyridine.
What is the SMILES notation for 3-bromo-4-methylpyridine?
The canonical SMILES for 3-bromo-4-methylpyridine is Cc1ccncc1Br.
What is the InChIKey of 3-bromo-4-methylpyridine?
The InChIKey is GSQZOLXWFQQJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3.
What are the key properties of 3-bromo-4-methylpyridine?
3-bromo-4-methylpyridine has a molecular weight of 172.03 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methylpyridine is sourced from PubChem (CID 817630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).