2-chloro-4-(2-chloro-4-pyridinyl)pyridine

C10H6Cl2N2 — CID 5172097

IUPAC2-chloro-4-(2-chloro-4-pyridinyl)pyridine
SMILESClc1cc(-c2ccnc(Cl)c2)ccn1
InChIInChI=1S/C10H6Cl2N2/c11-9-5-7(1-3-13-9)8-2-4-14-10(12)6-8/h1-6H
InChIKeyKSELKNWXBOXHEV-UHFFFAOYSA-N
MW225.08 g/mol
LogP3.45
Rot. Bonds1

About 2-chloro-4-(2-chloro-4-pyridinyl)pyridine

2-chloro-4-(2-chloro-4-pyridinyl)pyridine (PubChem CID 5172097) has the molecular formula C10H6Cl2N2 and a molecular weight of 225.08 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-4-pyridinyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-4-pyridinyl)pyridine
PubChem CID5172097
Molecular FormulaC10H6Cl2N2
Molecular Weight225.08 g/mol
Exact Mass223.99
IUPAC Name2-chloro-4-(2-chloro-4-pyridinyl)pyridine
SMILESClc1cc(-c2ccnc(Cl)c2)ccn1
InChIInChI=1S/C10H6Cl2N2/c11-9-5-7(1-3-13-9)8-2-4-14-10(12)6-8/h1-6H
InChIKeyKSELKNWXBOXHEV-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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Related Compounds

Paraquat dichloride
CID 15938
Paraquat
CID 15939
2-Chloropyridine
CID 7977
4,4'-Bipyridine
CID 11107
3-(Chloromethyl)pyridine hydrochloride
CID 23394
3-Ethyl-4-methylpyridine
CID 68254
3-Chloropyridine
CID 12287
2-Chloro-5-trichloromethylpyridine
CID 50293
1,3-Bis(4-pyridyl)propane
CID 87019
4-Styrylpyridine
CID 641098
2-Chloro-5-(trifluoromethyl)pyridine
CID 92342
4-Chloropyridine hydrochloride
CID 81852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-4-pyridinyl)pyridine?
The IUPAC name of 2-chloro-4-(2-chloro-4-pyridinyl)pyridine (CID 5172097) is 2-chloro-4-(2-chloro-4-pyridinyl)pyridine.
What is the SMILES notation for 2-chloro-4-(2-chloro-4-pyridinyl)pyridine?
The canonical SMILES for 2-chloro-4-(2-chloro-4-pyridinyl)pyridine is Clc1cc(-c2ccnc(Cl)c2)ccn1.
What is the InChIKey of 2-chloro-4-(2-chloro-4-pyridinyl)pyridine?
The InChIKey is KSELKNWXBOXHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2/c11-9-5-7(1-3-13-9)8-2-4-14-10(12)6-8/h1-6H.
What are the key properties of 2-chloro-4-(2-chloro-4-pyridinyl)pyridine?
2-chloro-4-(2-chloro-4-pyridinyl)pyridine 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-chloro-4-(2-chloro-4-pyridinyl)pyridine is sourced from PubChem (CID 5172097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).