3,5-dichloro-2,3-dihydropyridine

C5H5Cl2N — CID 130183556

IUPAC3,5-dichloro-2,3-dihydropyridine
SMILESClC1=CC(Cl)CN=C1
InChIInChI=1S/C5H5Cl2N/c6-4-1-5(7)3-8-2-4/h1-2,5H,3H2
InChIKeyKHGQXKVHDFBAQC-UHFFFAOYSA-N
MW150.01 g/mol
LogP1.80
Rot. Bonds

About 3,5-dichloro-2,3-dihydropyridine

3,5-dichloro-2,3-dihydropyridine (PubChem CID 130183556) has the molecular formula C5H5Cl2N and a molecular weight of 150.01 g/mol. Its IUPAC name is 3,5-dichloro-2,3-dihydropyridine.

Molecular Properties

Compound Name3,5-dichloro-2,3-dihydropyridine
PubChem CID130183556
Molecular FormulaC5H5Cl2N
Molecular Weight150.01 g/mol
Exact Mass148.98
IUPAC Name3,5-dichloro-2,3-dihydropyridine
SMILESClC1=CC(Cl)CN=C1
InChIInChI=1S/C5H5Cl2N/c6-4-1-5(7)3-8-2-4/h1-2,5H,3H2
InChIKeyKHGQXKVHDFBAQC-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,3-dihydropyridine?
The IUPAC name of 3,5-dichloro-2,3-dihydropyridine (CID 130183556) is 3,5-dichloro-2,3-dihydropyridine.
What is the SMILES notation for 3,5-dichloro-2,3-dihydropyridine?
The canonical SMILES for 3,5-dichloro-2,3-dihydropyridine is ClC1=CC(Cl)CN=C1.
What is the InChIKey of 3,5-dichloro-2,3-dihydropyridine?
The InChIKey is KHGQXKVHDFBAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N/c6-4-1-5(7)3-8-2-4/h1-2,5H,3H2.
What are the key properties of 3,5-dichloro-2,3-dihydropyridine?
3,5-dichloro-2,3-dihydropyridine has a molecular weight of 150.01 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,3-dihydropyridine is sourced from PubChem (CID 130183556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).