2,6-dichloro-2,5-dihydropyridine

C5H5Cl2N — CID 91378461

IUPAC2,6-dichloro-2,5-dihydropyridine
SMILESClC1=NC(Cl)C=CC1
InChIInChI=1S/C5H5Cl2N/c6-4-2-1-3-5(7)8-4/h1-2,4H,3H2
InChIKeyBEBRWLUPRMGCPZ-UHFFFAOYSA-N
MW150.01 g/mol
LogP2.15
Rot. Bonds

About 2,6-dichloro-2,5-dihydropyridine

2,6-dichloro-2,5-dihydropyridine (PubChem CID 91378461) has the molecular formula C5H5Cl2N and a molecular weight of 150.01 g/mol. Its IUPAC name is 2,6-dichloro-2,5-dihydropyridine.

Molecular Properties

Compound Name2,6-dichloro-2,5-dihydropyridine
PubChem CID91378461
Molecular FormulaC5H5Cl2N
Molecular Weight150.01 g/mol
Exact Mass148.98
IUPAC Name2,6-dichloro-2,5-dihydropyridine
SMILESClC1=NC(Cl)C=CC1
InChIInChI=1S/C5H5Cl2N/c6-4-2-1-3-5(7)8-4/h1-2,4H,3H2
InChIKeyBEBRWLUPRMGCPZ-UHFFFAOYSA-N
XLogP2.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.01
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-2,5-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-5-fluoro-2H-pyridine
CID 90134256
6-Chloro-5-fluoro-2,5-dihydropyridine
CID 123494833
2-Chloro-2,3-dihydropyridine
CID 54042964
(2S)-2-chloro-2,5-dihydropyridine
CID 57305938
4-Chloro-2,5-dihydropyridine
CID 57314466
2-Chloro-2,5-dihydropyridine
CID 76503864
2-Chloro-6-(chloromethyl)-2,3-dihydropyridine
CID 89105826
(2S)-6-bromo-2-chloro-2,5-dihydropyridine
CID 91025947
6-(Chloromethyl)-2,5-dihydropyridine
CID 91180760
5-Chloro-2,5-dihydropyridine
CID 91402937

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-2,5-dihydropyridine?
The IUPAC name of 2,6-dichloro-2,5-dihydropyridine (CID 91378461) is 2,6-dichloro-2,5-dihydropyridine.
What is the SMILES notation for 2,6-dichloro-2,5-dihydropyridine?
The canonical SMILES for 2,6-dichloro-2,5-dihydropyridine is ClC1=NC(Cl)C=CC1.
What is the InChIKey of 2,6-dichloro-2,5-dihydropyridine?
The InChIKey is BEBRWLUPRMGCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N/c6-4-2-1-3-5(7)8-4/h1-2,4H,3H2.
What are the key properties of 2,6-dichloro-2,5-dihydropyridine?
2,6-dichloro-2,5-dihydropyridine has a molecular weight of 150.01 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-2,5-dihydropyridine is sourced from PubChem (CID 91378461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).