3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium

C6H4BrFHoN- — CID 163342267

IUPAC3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium
SMILESC=C1C=N[C-](F)C(Br)=C1.[Ho]
InChIInChI=1S/C6H4BrFN.Ho/c1-4-2-5(7)6(8)9-3-4;/h2-3H,1H2;/q-1;
InChIKeyBOIYQLYYOLYNGV-UHFFFAOYSA-N
MW353.94 g/mol
LogP2.36
Rot. Bonds

About 3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium

3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium (PubChem CID 163342267) has the molecular formula C6H4BrFHoN- and a molecular weight of 353.94 g/mol. Its IUPAC name is 3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium.

Molecular Properties

Compound Name3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium
PubChem CID163342267
Molecular FormulaC6H4BrFHoN-
Molecular Weight353.94 g/mol
Exact Mass352.88
IUPAC Name3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium
SMILESC=C1C=N[C-](F)C(Br)=C1.[Ho]
InChIInChI=1S/C6H4BrFN.Ho/c1-4-2-5(7)6(8)9-3-4;/h2-3H,1H2;/q-1;
InChIKeyBOIYQLYYOLYNGV-UHFFFAOYSA-N
XLogP2.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.94
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-fluoro-5-methylidene-2H-pyridine
CID 176537407
5-bromo-3-methylidene-2H-pyridine
CID 167214126
CID 175688033
CID 175688033
CID 175688034
CID 175688034

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium?
The IUPAC name of 3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium (CID 163342267) is 3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium.
What is the SMILES notation for 3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium?
The canonical SMILES for 3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium is C=C1C=N[C-](F)C(Br)=C1.[Ho].
What is the InChIKey of 3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium?
The InChIKey is BOIYQLYYOLYNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN.Ho/c1-4-2-5(7)6(8)9-3-4;/h2-3H,1H2;/q-1;.
What are the key properties of 3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium?
3-bromo-2-fluoro-5-methylidenepyridin-2-ide;holmium has a molecular weight of 353.94 g/mol, XLogP of 2.36, 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-methylidenepyridin-2-ide;holmium is sourced from PubChem (CID 163342267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).