3-bromo-2-fluoro-5-methylidene-2H-pyridine

C6H5BrFN — CID 176537407

IUPAC3-bromo-2-fluoro-5-methylidene-2H-pyridine
SMILESC=C1C=NC(F)C(Br)=C1
InChIInChI=1S/C6H5BrFN/c1-4-2-5(7)6(8)9-3-4/h2-3,6H,1H2
InChIKeyXMMCMZJGZGBLPE-UHFFFAOYSA-N
MW190.01 g/mol
LogP2.20
Rot. Bonds

About 3-bromo-2-fluoro-5-methylidene-2H-pyridine

3-bromo-2-fluoro-5-methylidene-2H-pyridine (PubChem CID 176537407) has the molecular formula C6H5BrFN and a molecular weight of 190.01 g/mol. Its IUPAC name is 3-bromo-2-fluoro-5-methylidene-2H-pyridine.

Molecular Properties

Compound Name3-bromo-2-fluoro-5-methylidene-2H-pyridine
PubChem CID176537407
Molecular FormulaC6H5BrFN
Molecular Weight190.01 g/mol
Exact Mass188.96
IUPAC Name3-bromo-2-fluoro-5-methylidene-2H-pyridine
SMILESC=C1C=NC(F)C(Br)=C1
InChIInChI=1S/C6H5BrFN/c1-4-2-5(7)6(8)9-3-4/h2-3,6H,1H2
InChIKeyXMMCMZJGZGBLPE-UHFFFAOYSA-N
XLogP2.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.01
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-bromo-5-fluoro-2H-pyridine
CID 66876808
5-Bromo-2-fluoro-2,3-dihydropyridine
CID 163729763
5-bromo-3-methylidene-2H-pyridine
CID 167214126
3-Bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium
CID 163342267
CID 175688033
CID 175688033
CID 175688034
CID 175688034

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-5-methylidene-2H-pyridine?
The IUPAC name of 3-bromo-2-fluoro-5-methylidene-2H-pyridine (CID 176537407) is 3-bromo-2-fluoro-5-methylidene-2H-pyridine.
What is the SMILES notation for 3-bromo-2-fluoro-5-methylidene-2H-pyridine?
The canonical SMILES for 3-bromo-2-fluoro-5-methylidene-2H-pyridine is C=C1C=NC(F)C(Br)=C1.
What is the InChIKey of 3-bromo-2-fluoro-5-methylidene-2H-pyridine?
The InChIKey is XMMCMZJGZGBLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFN/c1-4-2-5(7)6(8)9-3-4/h2-3,6H,1H2.
What are the key properties of 3-bromo-2-fluoro-5-methylidene-2H-pyridine?
3-bromo-2-fluoro-5-methylidene-2H-pyridine has a molecular weight of 190.01 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-5-methylidene-2H-pyridine is sourced from PubChem (CID 176537407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).