6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine

C10H5Cl2N5 — CID 24904161

IUPAC6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine
SMILESClc1ccc(-c2nc3ncnc(Cl)c3[nH]2)cn1
InChIInChI=1S/C10H5Cl2N5/c11-6-2-1-5(3-13-6)9-16-7-8(12)14-4-15-10(7)17-9/h1-4H,(H,14,15,16,17)
InChIKeySEJQPKKKLGGWJV-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.72
Rot. Bonds1

About 6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine

6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine (PubChem CID 24904161) has the molecular formula C10H5Cl2N5 and a molecular weight of 266.09 g/mol. Its IUPAC name is 6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine.

Molecular Properties

Compound Name6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine
PubChem CID24904161
Molecular FormulaC10H5Cl2N5
Molecular Weight266.09 g/mol
Exact Mass264.99
IUPAC Name6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine
SMILESClc1ccc(-c2nc3ncnc(Cl)c3[nH]2)cn1
InChIInChI=1S/C10H5Cl2N5/c11-6-2-1-5(3-13-6)9-16-7-8(12)14-4-15-10(7)17-9/h1-4H,(H,14,15,16,17)
InChIKeySEJQPKKKLGGWJV-UHFFFAOYSA-N
XLogP2.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine?
The IUPAC name of 6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine (CID 24904161) is 6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine.
What is the SMILES notation for 6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine?
The canonical SMILES for 6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine is Clc1ccc(-c2nc3ncnc(Cl)c3[nH]2)cn1.
What is the InChIKey of 6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine?
The InChIKey is SEJQPKKKLGGWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N5/c11-6-2-1-5(3-13-6)9-16-7-8(12)14-4-15-10(7)17-9/h1-4H,(H,14,15,16,17).
What are the key properties of 6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine?
6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine has a molecular weight of 266.09 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine is sourced from PubChem (CID 24904161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).