2,6-dichloro-9-(5-nitro-2-pyridinyl)purine

C10H4Cl2N6O2 — CID 121269883

IUPAC2,6-dichloro-9-(5-nitro-2-pyridinyl)purine
SMILESO=[N+]([O-])c1ccc(-n2cnc3c(Cl)nc(Cl)nc32)nc1
InChIInChI=1S/C10H4Cl2N6O2/c11-8-7-9(16-10(12)15-8)17(4-14-7)6-2-1-5(3-13-6)18(19)20/h1-4H
InChIKeySCSNUYLMZOPVHD-UHFFFAOYSA-N
MW311.09 g/mol
LogP2.43
Rot. Bonds2

About 2,6-dichloro-9-(5-nitro-2-pyridinyl)purine

2,6-dichloro-9-(5-nitro-2-pyridinyl)purine (PubChem CID 121269883) has the molecular formula C10H4Cl2N6O2 and a molecular weight of 311.09 g/mol. Its IUPAC name is 2,6-dichloro-9-(5-nitro-2-pyridinyl)purine.

Molecular Properties

Compound Name2,6-dichloro-9-(5-nitro-2-pyridinyl)purine
PubChem CID121269883
Molecular FormulaC10H4Cl2N6O2
Molecular Weight311.09 g/mol
Exact Mass309.98
IUPAC Name2,6-dichloro-9-(5-nitro-2-pyridinyl)purine
SMILESO=[N+]([O-])c1ccc(-n2cnc3c(Cl)nc(Cl)nc32)nc1
InChIInChI=1S/C10H4Cl2N6O2/c11-8-7-9(16-10(12)15-8)17(4-14-7)6-2-1-5(3-13-6)18(19)20/h1-4H
InChIKeySCSNUYLMZOPVHD-UHFFFAOYSA-N
XLogP2.43
TPSA99.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.09
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-9-(5-nitro-2-pyridinyl)purine?
The IUPAC name of 2,6-dichloro-9-(5-nitro-2-pyridinyl)purine (CID 121269883) is 2,6-dichloro-9-(5-nitro-2-pyridinyl)purine.
What is the SMILES notation for 2,6-dichloro-9-(5-nitro-2-pyridinyl)purine?
The canonical SMILES for 2,6-dichloro-9-(5-nitro-2-pyridinyl)purine is O=[N+]([O-])c1ccc(-n2cnc3c(Cl)nc(Cl)nc32)nc1.
What is the InChIKey of 2,6-dichloro-9-(5-nitro-2-pyridinyl)purine?
The InChIKey is SCSNUYLMZOPVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N6O2/c11-8-7-9(16-10(12)15-8)17(4-14-7)6-2-1-5(3-13-6)18(19)20/h1-4H.
What are the key properties of 2,6-dichloro-9-(5-nitro-2-pyridinyl)purine?
2,6-dichloro-9-(5-nitro-2-pyridinyl)purine has a molecular weight of 311.09 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-9-(5-nitro-2-pyridinyl)purine is sourced from PubChem (CID 121269883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).