2,5-dichloro-3-pyridin-4-ylpyridine

C10H6Cl2N2 — CID 46315409

IUPAC2,5-dichloro-3-pyridin-4-ylpyridine
SMILESClc1cnc(Cl)c(-c2ccncc2)c1
InChIInChI=1S/C10H6Cl2N2/c11-8-5-9(10(12)14-6-8)7-1-3-13-4-2-7/h1-6H
InChIKeyDZCOHYLJIPYLND-UHFFFAOYSA-N
MW225.08 g/mol
LogP3.45
Rot. Bonds1

About 2,5-dichloro-3-pyridin-4-ylpyridine

2,5-dichloro-3-pyridin-4-ylpyridine (PubChem CID 46315409) has the molecular formula C10H6Cl2N2 and a molecular weight of 225.08 g/mol. Its IUPAC name is 2,5-dichloro-3-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2,5-dichloro-3-pyridin-4-ylpyridine
PubChem CID46315409
Molecular FormulaC10H6Cl2N2
Molecular Weight225.08 g/mol
Exact Mass223.99
IUPAC Name2,5-dichloro-3-pyridin-4-ylpyridine
SMILESClc1cnc(Cl)c(-c2ccncc2)c1
InChIInChI=1S/C10H6Cl2N2/c11-8-5-9(10(12)14-6-8)7-1-3-13-4-2-7/h1-6H
InChIKeyDZCOHYLJIPYLND-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-pyridin-4-ylpyridine?
The IUPAC name of 2,5-dichloro-3-pyridin-4-ylpyridine (CID 46315409) is 2,5-dichloro-3-pyridin-4-ylpyridine.
What is the SMILES notation for 2,5-dichloro-3-pyridin-4-ylpyridine?
The canonical SMILES for 2,5-dichloro-3-pyridin-4-ylpyridine is Clc1cnc(Cl)c(-c2ccncc2)c1.
What is the InChIKey of 2,5-dichloro-3-pyridin-4-ylpyridine?
The InChIKey is DZCOHYLJIPYLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2/c11-8-5-9(10(12)14-6-8)7-1-3-13-4-2-7/h1-6H.
What are the key properties of 2,5-dichloro-3-pyridin-4-ylpyridine?
2,5-dichloro-3-pyridin-4-ylpyridine has a molecular weight of 225.08 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-pyridin-4-ylpyridine is sourced from PubChem (CID 46315409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).