6-bromo-2,5-dihydropyridine

C5H6BrN — CID 56630254

IUPAC6-bromo-2,5-dihydropyridine
SMILESBrC1=NCC=CC1
InChIInChI=1S/C5H6BrN/c6-5-3-1-2-4-7-5/h1-2H,3-4H2
InChIKeyGTJRUCCURPNUCA-UHFFFAOYSA-N
MW160.01 g/mol
LogP1.74
Rot. Bonds

About 6-bromo-2,5-dihydropyridine

6-bromo-2,5-dihydropyridine (PubChem CID 56630254) has the molecular formula C5H6BrN and a molecular weight of 160.01 g/mol. Its IUPAC name is 6-bromo-2,5-dihydropyridine.

Molecular Properties

Compound Name6-bromo-2,5-dihydropyridine
PubChem CID56630254
Molecular FormulaC5H6BrN
Molecular Weight160.01 g/mol
Exact Mass158.97
IUPAC Name6-bromo-2,5-dihydropyridine
SMILESBrC1=NCC=CC1
InChIInChI=1S/C5H6BrN/c6-5-3-1-2-4-7-5/h1-2H,3-4H2
InChIKeyGTJRUCCURPNUCA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Bromo-2-(trifluoromethyl)-2,5-dihydropyridine
CID 123694393
2,6-Dibromo-2,3-dihydropyridine
CID 68056077
6-Bromo-2,3-dihydropyridine
CID 68374044
(2S)-2-bromo-2,5-dihydropyridine
CID 90723431
5-Bromo-2,5-dihydropyridine
CID 91020829
(2S)-6-bromo-2-chloro-2,5-dihydropyridine
CID 91025947
3-Bromo-2,5-dihydropyridine
CID 175819799

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,5-dihydropyridine?
The IUPAC name of 6-bromo-2,5-dihydropyridine (CID 56630254) is 6-bromo-2,5-dihydropyridine.
What is the SMILES notation for 6-bromo-2,5-dihydropyridine?
The canonical SMILES for 6-bromo-2,5-dihydropyridine is BrC1=NCC=CC1.
What is the InChIKey of 6-bromo-2,5-dihydropyridine?
The InChIKey is GTJRUCCURPNUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN/c6-5-3-1-2-4-7-5/h1-2H,3-4H2.
What are the key properties of 6-bromo-2,5-dihydropyridine?
6-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 6-bromo-2,5-dihydropyridine is sourced from PubChem (CID 56630254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).