3-bromo-2,5-dihydropyridine

C5H6BrN — CID 175819799

IUPAC3-bromo-2,5-dihydropyridine
SMILESBrC1=CCC=NC1
InChIInChI=1S/C5H6BrN/c6-5-2-1-3-7-4-5/h2-3H,1,4H2
InChIKeyCJMDOVSYFGFVQF-UHFFFAOYSA-N
MW160.01 g/mol
LogP1.74
Rot. Bonds

About 3-bromo-2,5-dihydropyridine

3-bromo-2,5-dihydropyridine (PubChem CID 175819799) has the molecular formula C5H6BrN and a molecular weight of 160.01 g/mol. Its IUPAC name is 3-bromo-2,5-dihydropyridine.

Molecular Properties

Compound Name3-bromo-2,5-dihydropyridine
PubChem CID175819799
Molecular FormulaC5H6BrN
Molecular Weight160.01 g/mol
Exact Mass158.97
IUPAC Name3-bromo-2,5-dihydropyridine
SMILESBrC1=CCC=NC1
InChIInChI=1S/C5H6BrN/c6-5-2-1-3-7-4-5/h2-3H,1,4H2
InChIKeyCJMDOVSYFGFVQF-UHFFFAOYSA-N
XLogP1.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.01
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dihydropyridine?
The IUPAC name of 3-bromo-2,5-dihydropyridine (CID 175819799) is 3-bromo-2,5-dihydropyridine.
What is the SMILES notation for 3-bromo-2,5-dihydropyridine?
The canonical SMILES for 3-bromo-2,5-dihydropyridine is BrC1=CCC=NC1.
What is the InChIKey of 3-bromo-2,5-dihydropyridine?
The InChIKey is CJMDOVSYFGFVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN/c6-5-2-1-3-7-4-5/h2-3H,1,4H2.
What are the key properties of 3-bromo-2,5-dihydropyridine?
3-bromo-2,5-dihydropyridine has a molecular weight of 160.01 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dihydropyridine is sourced from PubChem (CID 175819799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).