2-bromo-3,4-dihydropyridine

C5H6BrN — CID 68789736

IUPAC2-bromo-3,4-dihydropyridine
SMILESBrC1=NC=CCC1
InChIInChI=1S/C5H6BrN/c6-5-3-1-2-4-7-5/h2,4H,1,3H2
InChIKeyVEUBODSURSCNPS-UHFFFAOYSA-N
MW160.01 g/mol
LogP2.09
Rot. Bonds

About 2-bromo-3,4-dihydropyridine

2-bromo-3,4-dihydropyridine (PubChem CID 68789736) has the molecular formula C5H6BrN and a molecular weight of 160.01 g/mol. Its IUPAC name is 2-bromo-3,4-dihydropyridine.

Molecular Properties

Compound Name2-bromo-3,4-dihydropyridine
PubChem CID68789736
Molecular FormulaC5H6BrN
Molecular Weight160.01 g/mol
Exact Mass158.97
IUPAC Name2-bromo-3,4-dihydropyridine
SMILESBrC1=NC=CCC1
InChIInChI=1S/C5H6BrN/c6-5-3-1-2-4-7-5/h2,4H,1,3H2
InChIKeyVEUBODSURSCNPS-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-3-fluoro-4H-pyridine
CID 66876809
2-Bromo-5-fluoro-3,4-dihydropyridine
CID 142529839
4-Bromo-2-fluoro-3,4-dihydropyridine
CID 170181298
2-bromo-3H-pyrrole
CID 58405639
2,5-Dibromo-3,4-dihydropyridine
CID 68387884
2-Bromo-4-iodo-3,4-dihydropyridine
CID 137417527
5-bromo-4H-pyridine
CID 152765897
(3Z)-2-bromo-3-(bromomethylidene)-4H-pyridine
CID 119097908

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4-dihydropyridine?
The IUPAC name of 2-bromo-3,4-dihydropyridine (CID 68789736) is 2-bromo-3,4-dihydropyridine.
What is the SMILES notation for 2-bromo-3,4-dihydropyridine?
The canonical SMILES for 2-bromo-3,4-dihydropyridine is BrC1=NC=CCC1.
What is the InChIKey of 2-bromo-3,4-dihydropyridine?
The InChIKey is VEUBODSURSCNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN/c6-5-3-1-2-4-7-5/h2,4H,1,3H2.
What are the key properties of 2-bromo-3,4-dihydropyridine?
2-bromo-3,4-dihydropyridine has a molecular weight of 160.01 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4-dihydropyridine is sourced from PubChem (CID 68789736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).