4-bromo-2-methylpyridine

C6H6BrN — CID 2762835

IUPAC4-bromo-2-methylpyridine
SMILESCc1cc(Br)ccn1
InChIInChI=1S/C6H6BrN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
InChIKeyJFBMFWHEXBLFCR-UHFFFAOYSA-N
MW172.03 g/mol
LogP2.15
Rot. Bonds

About 4-bromo-2-methylpyridine

4-bromo-2-methylpyridine (PubChem CID 2762835) has the molecular formula C6H6BrN and a molecular weight of 172.03 g/mol. Its IUPAC name is 4-bromo-2-methylpyridine.

Molecular Properties

Compound Name4-bromo-2-methylpyridine
PubChem CID2762835
Molecular FormulaC6H6BrN
Molecular Weight172.03 g/mol
Exact Mass170.97
IUPAC Name4-bromo-2-methylpyridine
SMILESCc1cc(Br)ccn1
InChIInChI=1S/C6H6BrN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
InChIKeyJFBMFWHEXBLFCR-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 4-bromo-2-methylpyridine?
The IUPAC name of 4-bromo-2-methylpyridine (CID 2762835) is 4-bromo-2-methylpyridine.
What is the SMILES notation for 4-bromo-2-methylpyridine?
The canonical SMILES for 4-bromo-2-methylpyridine is Cc1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-methylpyridine?
The InChIKey is JFBMFWHEXBLFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3.
What are the key properties of 4-bromo-2-methylpyridine?
4-bromo-2-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 4-bromo-2-methylpyridine is sourced from PubChem (CID 2762835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).