3-bromo-5-fluoro-2H-pyridin-1-ide

C5H4BrFN- — CID 147602087

IUPAC3-bromo-5-fluoro-2H-pyridin-1-ide
SMILESFC1=C[N-]CC(Br)=C1
InChIInChI=1S/C5H4BrFN/c6-4-1-5(7)3-8-2-4/h1,3H,2H2/q-1
InChIKeyGAIOVHAJSYDWND-UHFFFAOYSA-N
MW177.00 g/mol
LogP2.46
Rot. Bonds

About 3-bromo-5-fluoro-2H-pyridin-1-ide

3-bromo-5-fluoro-2H-pyridin-1-ide (PubChem CID 147602087) has the molecular formula C5H4BrFN- and a molecular weight of 177.00 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2H-pyridin-1-ide.

Molecular Properties

Compound Name3-bromo-5-fluoro-2H-pyridin-1-ide
PubChem CID147602087
Molecular FormulaC5H4BrFN-
Molecular Weight177.00 g/mol
Exact Mass175.95
IUPAC Name3-bromo-5-fluoro-2H-pyridin-1-ide
SMILESFC1=C[N-]CC(Br)=C1
InChIInChI=1S/C5H4BrFN/c6-4-1-5(7)3-8-2-4/h1,3H,2H2/q-1
InChIKeyGAIOVHAJSYDWND-UHFFFAOYSA-N
XLogP2.46
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.00
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2H-pyridin-1-ide?
The IUPAC name of 3-bromo-5-fluoro-2H-pyridin-1-ide (CID 147602087) is 3-bromo-5-fluoro-2H-pyridin-1-ide.
What is the SMILES notation for 3-bromo-5-fluoro-2H-pyridin-1-ide?
The canonical SMILES for 3-bromo-5-fluoro-2H-pyridin-1-ide is FC1=C[N-]CC(Br)=C1.
What is the InChIKey of 3-bromo-5-fluoro-2H-pyridin-1-ide?
The InChIKey is GAIOVHAJSYDWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrFN/c6-4-1-5(7)3-8-2-4/h1,3H,2H2/q-1.
What are the key properties of 3-bromo-5-fluoro-2H-pyridin-1-ide?
3-bromo-5-fluoro-2H-pyridin-1-ide has a molecular weight of 177.00 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2H-pyridin-1-ide is sourced from PubChem (CID 147602087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).