5-bromo-2-chloro-2,3-dihydropyridine

C5H5BrClN — CID 123287322

IUPAC5-bromo-2-chloro-2,3-dihydropyridine
SMILESClC1CC=C(Br)C=N1
InChIInChI=1S/C5H5BrClN/c6-4-1-2-5(7)8-3-4/h1,3,5H,2H2
InChIKeyGXUWXYFDLSDZFO-UHFFFAOYSA-N
MW194.46 g/mol
LogP2.30
Rot. Bonds

About 5-bromo-2-chloro-2,3-dihydropyridine

5-bromo-2-chloro-2,3-dihydropyridine (PubChem CID 123287322) has the molecular formula C5H5BrClN and a molecular weight of 194.46 g/mol. Its IUPAC name is 5-bromo-2-chloro-2,3-dihydropyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-2,3-dihydropyridine
PubChem CID123287322
Molecular FormulaC5H5BrClN
Molecular Weight194.46 g/mol
Exact Mass192.93
IUPAC Name5-bromo-2-chloro-2,3-dihydropyridine
SMILESClC1CC=C(Br)C=N1
InChIInChI=1S/C5H5BrClN/c6-4-1-2-5(7)8-3-4/h1,3,5H,2H2
InChIKeyGXUWXYFDLSDZFO-UHFFFAOYSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-2,3-dihydropyridine
CID 54042964
3-Bromo-3-chloropyridine
CID 66986332
5-Bromo-2,3-dihydropyridine
CID 89519181
6-Bromo-3-chloro-2,3-dihydropyridine
CID 123830691
3-Bromo-2-chloro-2,3-dihydropyridine
CID 123929215
3,5-Dichloro-2,3-dihydropyridine
CID 130183556
3-Bromo-2-chloro-5-methyl-2,3-dihydropyridine
CID 163534781
3-bromo-5-chloro-3-methyl-2H-pyridine
CID 176023027

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-2,3-dihydropyridine?
The IUPAC name of 5-bromo-2-chloro-2,3-dihydropyridine (CID 123287322) is 5-bromo-2-chloro-2,3-dihydropyridine.
What is the SMILES notation for 5-bromo-2-chloro-2,3-dihydropyridine?
The canonical SMILES for 5-bromo-2-chloro-2,3-dihydropyridine is ClC1CC=C(Br)C=N1.
What is the InChIKey of 5-bromo-2-chloro-2,3-dihydropyridine?
The InChIKey is GXUWXYFDLSDZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrClN/c6-4-1-2-5(7)8-3-4/h1,3,5H,2H2.
What are the key properties of 5-bromo-2-chloro-2,3-dihydropyridine?
5-bromo-2-chloro-2,3-dihydropyridine has a molecular weight of 194.46 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-2,3-dihydropyridine is sourced from PubChem (CID 123287322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).