6-bromo-3-chloro-2,3-dihydropyridine

C5H5BrClN — CID 123830691

IUPAC6-bromo-3-chloro-2,3-dihydropyridine
SMILESClC1C=CC(Br)=NC1
InChIInChI=1S/C5H5BrClN/c6-5-2-1-4(7)3-8-5/h1-2,4H,3H2
InChIKeySUYDUSHYQIPOQJ-UHFFFAOYSA-N
MW194.46 g/mol
LogP1.96
Rot. Bonds

About 6-bromo-3-chloro-2,3-dihydropyridine

6-bromo-3-chloro-2,3-dihydropyridine (PubChem CID 123830691) has the molecular formula C5H5BrClN and a molecular weight of 194.46 g/mol. Its IUPAC name is 6-bromo-3-chloro-2,3-dihydropyridine.

Molecular Properties

Compound Name6-bromo-3-chloro-2,3-dihydropyridine
PubChem CID123830691
Molecular FormulaC5H5BrClN
Molecular Weight194.46 g/mol
Exact Mass192.93
IUPAC Name6-bromo-3-chloro-2,3-dihydropyridine
SMILESClC1C=CC(Br)=NC1
InChIInChI=1S/C5H5BrClN/c6-5-2-1-4(7)3-8-5/h1-2,4H,3H2
InChIKeySUYDUSHYQIPOQJ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-2,3-dihydropyridine
CID 20183270
2-Chloro-2,3-dihydropyridine
CID 54042964
6-Chloro-2,3-dihydropyridine
CID 57230767
3-Bromo-3-chloropyridine
CID 66986332
6-Bromo-2,3-dihydropyridine
CID 68374044
3-Bromo-6-chloro-2,3-dihydropyridine
CID 89704323
(2S)-6-bromo-2-chloro-2,5-dihydropyridine
CID 91025947
5-Bromo-2-chloro-2,3-dihydropyridine
CID 123287322
3-Bromo-2-chloro-2,3-dihydropyridine
CID 123929215

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2,3-dihydropyridine?
The IUPAC name of 6-bromo-3-chloro-2,3-dihydropyridine (CID 123830691) is 6-bromo-3-chloro-2,3-dihydropyridine.
What is the SMILES notation for 6-bromo-3-chloro-2,3-dihydropyridine?
The canonical SMILES for 6-bromo-3-chloro-2,3-dihydropyridine is ClC1C=CC(Br)=NC1.
What is the InChIKey of 6-bromo-3-chloro-2,3-dihydropyridine?
The InChIKey is SUYDUSHYQIPOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrClN/c6-5-2-1-4(7)3-8-5/h1-2,4H,3H2.
What are the key properties of 6-bromo-3-chloro-2,3-dihydropyridine?
6-bromo-3-chloro-2,3-dihydropyridine has a molecular weight of 194.46 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-2,3-dihydropyridine is sourced from PubChem (CID 123830691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).