(2,6-dichloropurin-9-yl)-iodophosphane

C5H2Cl2IN4P — CID 134308936

IUPAC(2,6-dichloropurin-9-yl)-iodophosphane
SMILESClc1nc(Cl)c2ncn(PI)c2n1
InChIInChI=1S/C5H2Cl2IN4P/c6-3-2-4(11-5(7)10-3)12(13-8)1-9-2/h1,13H
InChIKeyHJLYFSRQCGLENA-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.92
Rot. Bonds1

About (2,6-dichloropurin-9-yl)-iodophosphane

(2,6-dichloropurin-9-yl)-iodophosphane (PubChem CID 134308936) has the molecular formula C5H2Cl2IN4P and a molecular weight of 346.88 g/mol. Its IUPAC name is (2,6-dichloropurin-9-yl)-iodophosphane.

Molecular Properties

Compound Name(2,6-dichloropurin-9-yl)-iodophosphane
PubChem CID134308936
Molecular FormulaC5H2Cl2IN4P
Molecular Weight346.88 g/mol
Exact Mass345.84
IUPAC Name(2,6-dichloropurin-9-yl)-iodophosphane
SMILESClc1nc(Cl)c2ncn(PI)c2n1
InChIInChI=1S/C5H2Cl2IN4P/c6-3-2-4(11-5(7)10-3)12(13-8)1-9-2/h1,13H
InChIKeyHJLYFSRQCGLENA-UHFFFAOYSA-N
XLogP2.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-Chloropurine
CID 5359277
2-Amino-6-chloropurine
CID 5360349
6-Chloro-2-fluoropurine
CID 5287914
2,6-Dichloropurine
CID 5324412
7H-Purine, 6-chloro-7-methyl-
CID 95057
2,6-dichloro-7-methyl-7H-purine
CID 75281
6-chloro-9-methyl-9H-purine
CID 94844
2-Bromo-6-chloro-9H-purine
CID 5287744
6-Chloro-9-ethylpurine
CID 226068
2,6,8-trichloro-7-methyl-7H-purine
CID 250897
(1,2,5)Thiadiazolo(3,4-d)pyrimidin-7-amine
CID 95769
6-chloro-9-(prop-2-yn-1-yl)-9H-purine
CID 257853

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloropurin-9-yl)-iodophosphane?
The IUPAC name of (2,6-dichloropurin-9-yl)-iodophosphane (CID 134308936) is (2,6-dichloropurin-9-yl)-iodophosphane.
What is the SMILES notation for (2,6-dichloropurin-9-yl)-iodophosphane?
The canonical SMILES for (2,6-dichloropurin-9-yl)-iodophosphane is Clc1nc(Cl)c2ncn(PI)c2n1.
What is the InChIKey of (2,6-dichloropurin-9-yl)-iodophosphane?
The InChIKey is HJLYFSRQCGLENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2IN4P/c6-3-2-4(11-5(7)10-3)12(13-8)1-9-2/h1,13H.
What are the key properties of (2,6-dichloropurin-9-yl)-iodophosphane?
(2,6-dichloropurin-9-yl)-iodophosphane has a molecular weight of 346.88 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloropurin-9-yl)-iodophosphane is sourced from PubChem (CID 134308936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).