2-bromo-5-ethyl-3-methylpyridine

C8H10BrN — CID 18341142

IUPAC2-bromo-5-ethyl-3-methylpyridine
SMILESCCc1cnc(Br)c(C)c1
InChIInChI=1S/C8H10BrN/c1-3-7-4-6(2)8(9)10-5-7/h4-5H,3H2,1-2H3
InChIKeyFQQGGRSHOSNIOZ-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.71
Rot. Bonds1

About 2-bromo-5-ethyl-3-methylpyridine

2-bromo-5-ethyl-3-methylpyridine (PubChem CID 18341142) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 2-bromo-5-ethyl-3-methylpyridine.

Molecular Properties

Compound Name2-bromo-5-ethyl-3-methylpyridine
PubChem CID18341142
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name2-bromo-5-ethyl-3-methylpyridine
SMILESCCc1cnc(Br)c(C)c1
InChIInChI=1S/C8H10BrN/c1-3-7-4-6(2)8(9)10-5-7/h4-5H,3H2,1-2H3
InChIKeyFQQGGRSHOSNIOZ-UHFFFAOYSA-N
XLogP2.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethyl-3-methylpyridine?
The IUPAC name of 2-bromo-5-ethyl-3-methylpyridine (CID 18341142) is 2-bromo-5-ethyl-3-methylpyridine.
What is the SMILES notation for 2-bromo-5-ethyl-3-methylpyridine?
The canonical SMILES for 2-bromo-5-ethyl-3-methylpyridine is CCc1cnc(Br)c(C)c1.
What is the InChIKey of 2-bromo-5-ethyl-3-methylpyridine?
The InChIKey is FQQGGRSHOSNIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-3-7-4-6(2)8(9)10-5-7/h4-5H,3H2,1-2H3.
What are the key properties of 2-bromo-5-ethyl-3-methylpyridine?
2-bromo-5-ethyl-3-methylpyridine has a molecular weight of 200.08 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethyl-3-methylpyridine is sourced from PubChem (CID 18341142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).