2-(2,5-dichloro-4-pyridinyl)pyrimidine

C9H5Cl2N3 — CID 90284935

IUPAC2-(2,5-dichloro-4-pyridinyl)pyrimidine
SMILESClc1cc(-c2ncccn2)c(Cl)cn1
InChIInChI=1S/C9H5Cl2N3/c10-7-5-14-8(11)4-6(7)9-12-2-1-3-13-9/h1-5H
InChIKeyZSLBYFIIKBSJOR-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.85
Rot. Bonds1

About 2-(2,5-dichloro-4-pyridinyl)pyrimidine

2-(2,5-dichloro-4-pyridinyl)pyrimidine (PubChem CID 90284935) has the molecular formula C9H5Cl2N3 and a molecular weight of 226.07 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-(2,5-dichloro-4-pyridinyl)pyrimidine
PubChem CID90284935
Molecular FormulaC9H5Cl2N3
Molecular Weight226.07 g/mol
Exact Mass224.99
IUPAC Name2-(2,5-dichloro-4-pyridinyl)pyrimidine
SMILESClc1cc(-c2ncccn2)c(Cl)cn1
InChIInChI=1S/C9H5Cl2N3/c10-7-5-14-8(11)4-6(7)9-12-2-1-3-13-9/h1-5H
InChIKeyZSLBYFIIKBSJOR-UHFFFAOYSA-N
XLogP2.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,5-dichloro-4-pyridinyl)pyrimidine?
The IUPAC name of 2-(2,5-dichloro-4-pyridinyl)pyrimidine (CID 90284935) is 2-(2,5-dichloro-4-pyridinyl)pyrimidine.
What is the SMILES notation for 2-(2,5-dichloro-4-pyridinyl)pyrimidine?
The canonical SMILES for 2-(2,5-dichloro-4-pyridinyl)pyrimidine is Clc1cc(-c2ncccn2)c(Cl)cn1.
What is the InChIKey of 2-(2,5-dichloro-4-pyridinyl)pyrimidine?
The InChIKey is ZSLBYFIIKBSJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3/c10-7-5-14-8(11)4-6(7)9-12-2-1-3-13-9/h1-5H.
What are the key properties of 2-(2,5-dichloro-4-pyridinyl)pyrimidine?
2-(2,5-dichloro-4-pyridinyl)pyrimidine has a molecular weight of 226.07 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-pyridinyl)pyrimidine is sourced from PubChem (CID 90284935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).