5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine

C6H2Cl2IN3 — CID 23539599

IUPAC5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2ncc(I)c2n1
InChIInChI=1S/C6H2Cl2IN3/c7-4-1-5(8)12-6(11-4)3(9)2-10-12/h1-2H
InChIKeyRJTIQNFZPDTAMI-UHFFFAOYSA-N
MW313.91 g/mol
LogP2.64
Rot. Bonds

About 5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine

5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine (PubChem CID 23539599) has the molecular formula C6H2Cl2IN3 and a molecular weight of 313.91 g/mol. Its IUPAC name is 5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine
PubChem CID23539599
Molecular FormulaC6H2Cl2IN3
Molecular Weight313.91 g/mol
Exact Mass312.87
IUPAC Name5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine
SMILESClc1cc(Cl)n2ncc(I)c2n1
InChIInChI=1S/C6H2Cl2IN3/c7-4-1-5(8)12-6(11-4)3(9)2-10-12/h1-2H
InChIKeyRJTIQNFZPDTAMI-UHFFFAOYSA-N
XLogP2.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.91
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine (CID 23539599) is 5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine is Clc1cc(Cl)n2ncc(I)c2n1.
What is the InChIKey of 5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine?
The InChIKey is RJTIQNFZPDTAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2IN3/c7-4-1-5(8)12-6(11-4)3(9)2-10-12/h1-2H.
What are the key properties of 5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine has a molecular weight of 313.91 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-iodopyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 23539599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).