3-bromo-1,2-dihydropyridine

C5H6BrN — CID 19045887

IUPAC3-bromo-1,2-dihydropyridine
SMILESBrC1=CC=CNC1
InChIInChI=1S/C5H6BrN/c6-5-2-1-3-7-4-5/h1-3,7H,4H2
InChIKeyRWZLEGNQALWQRP-UHFFFAOYSA-N
MW160.01 g/mol
LogP1.38
Rot. Bonds

About 3-bromo-1,2-dihydropyridine

3-bromo-1,2-dihydropyridine (PubChem CID 19045887) has the molecular formula C5H6BrN and a molecular weight of 160.01 g/mol. Its IUPAC name is 3-bromo-1,2-dihydropyridine.

Molecular Properties

Compound Name3-bromo-1,2-dihydropyridine
PubChem CID19045887
Molecular FormulaC5H6BrN
Molecular Weight160.01 g/mol
Exact Mass158.97
IUPAC Name3-bromo-1,2-dihydropyridine
SMILESBrC1=CC=CNC1
InChIInChI=1S/C5H6BrN/c6-5-2-1-3-7-4-5/h1-3,7H,4H2
InChIKeyRWZLEGNQALWQRP-UHFFFAOYSA-N
XLogP1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.01
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,2-dihydropyridine?
The IUPAC name of 3-bromo-1,2-dihydropyridine (CID 19045887) is 3-bromo-1,2-dihydropyridine.
What is the SMILES notation for 3-bromo-1,2-dihydropyridine?
The canonical SMILES for 3-bromo-1,2-dihydropyridine is BrC1=CC=CNC1.
What is the InChIKey of 3-bromo-1,2-dihydropyridine?
The InChIKey is RWZLEGNQALWQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN/c6-5-2-1-3-7-4-5/h1-3,7H,4H2.
What are the key properties of 3-bromo-1,2-dihydropyridine?
3-bromo-1,2-dihydropyridine has a molecular weight of 160.01 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,2-dihydropyridine is sourced from PubChem (CID 19045887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).