4-bromo-2-fluoro-3-methylpyridine;ethane

C8H11BrFN — CID 143380357

IUPAC4-bromo-2-fluoro-3-methylpyridine;ethane
SMILESCC.Cc1c(Br)ccnc1F
InChIInChI=1S/C6H5BrFN.C2H6/c1-4-5(7)2-3-9-6(4)8;1-2/h2-3H,1H3;1-2H3
InChIKeyNQNSFDGFBSRTNN-UHFFFAOYSA-N
MW220.09 g/mol
LogP3.32
Rot. Bonds

About 4-bromo-2-fluoro-3-methylpyridine;ethane

4-bromo-2-fluoro-3-methylpyridine;ethane (PubChem CID 143380357) has the molecular formula C8H11BrFN and a molecular weight of 220.09 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-methylpyridine;ethane.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-methylpyridine;ethane
PubChem CID143380357
Molecular FormulaC8H11BrFN
Molecular Weight220.09 g/mol
Exact Mass219.01
IUPAC Name4-bromo-2-fluoro-3-methylpyridine;ethane
SMILESCC.Cc1c(Br)ccnc1F
InChIInChI=1S/C6H5BrFN.C2H6/c1-4-5(7)2-3-9-6(4)8;1-2/h2-3H,1H3;1-2H3
InChIKeyNQNSFDGFBSRTNN-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-bromo-2-fluoro-3-methylpyridine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-methylpyridine;ethane?
The IUPAC name of 4-bromo-2-fluoro-3-methylpyridine;ethane (CID 143380357) is 4-bromo-2-fluoro-3-methylpyridine;ethane.
What is the SMILES notation for 4-bromo-2-fluoro-3-methylpyridine;ethane?
The canonical SMILES for 4-bromo-2-fluoro-3-methylpyridine;ethane is CC.Cc1c(Br)ccnc1F.
What is the InChIKey of 4-bromo-2-fluoro-3-methylpyridine;ethane?
The InChIKey is NQNSFDGFBSRTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFN.C2H6/c1-4-5(7)2-3-9-6(4)8;1-2/h2-3H,1H3;1-2H3.
What are the key properties of 4-bromo-2-fluoro-3-methylpyridine;ethane?
4-bromo-2-fluoro-3-methylpyridine;ethane has a molecular weight of 220.09 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-3-methylpyridine;ethane is sourced from PubChem (CID 143380357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).