2-bromo-5-fluoro-3,4-dimethylpyridine

C7H7BrFN — CID 83485488

IUPAC2-bromo-5-fluoro-3,4-dimethylpyridine
SMILESCc1c(F)cnc(Br)c1C
InChIInChI=1S/C7H7BrFN/c1-4-5(2)7(8)10-3-6(4)9/h3H,1-2H3
InChIKeyFSGZDDOMQKZXHP-UHFFFAOYSA-N
MW204.04 g/mol
LogP2.60
Rot. Bonds

About 2-bromo-5-fluoro-3,4-dimethylpyridine

2-bromo-5-fluoro-3,4-dimethylpyridine (PubChem CID 83485488) has the molecular formula C7H7BrFN and a molecular weight of 204.04 g/mol. Its IUPAC name is 2-bromo-5-fluoro-3,4-dimethylpyridine.

Molecular Properties

Compound Name2-bromo-5-fluoro-3,4-dimethylpyridine
PubChem CID83485488
Molecular FormulaC7H7BrFN
Molecular Weight204.04 g/mol
Exact Mass202.97
IUPAC Name2-bromo-5-fluoro-3,4-dimethylpyridine
SMILESCc1c(F)cnc(Br)c1C
InChIInChI=1S/C7H7BrFN/c1-4-5(2)7(8)10-3-6(4)9/h3H,1-2H3
InChIKeyFSGZDDOMQKZXHP-UHFFFAOYSA-N
XLogP2.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.04
LogP ≤ 52.60
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-fluoro-3,4-dimethylpyridine?
The IUPAC name of 2-bromo-5-fluoro-3,4-dimethylpyridine (CID 83485488) is 2-bromo-5-fluoro-3,4-dimethylpyridine.
What is the SMILES notation for 2-bromo-5-fluoro-3,4-dimethylpyridine?
The canonical SMILES for 2-bromo-5-fluoro-3,4-dimethylpyridine is Cc1c(F)cnc(Br)c1C.
What is the InChIKey of 2-bromo-5-fluoro-3,4-dimethylpyridine?
The InChIKey is FSGZDDOMQKZXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN/c1-4-5(2)7(8)10-3-6(4)9/h3H,1-2H3.
What are the key properties of 2-bromo-5-fluoro-3,4-dimethylpyridine?
2-bromo-5-fluoro-3,4-dimethylpyridine has a molecular weight of 204.04 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-3,4-dimethylpyridine is sourced from PubChem (CID 83485488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).