4-chloro-7-iodopyrazolo[1,5-a]pyrazine

C6H3ClIN3 — CID 155820924

IUPAC4-chloro-7-iodopyrazolo[1,5-a]pyrazine
SMILESClc1ncc(I)n2nccc12
InChIInChI=1S/C6H3ClIN3/c7-6-4-1-2-10-11(4)5(8)3-9-6/h1-3H
InChIKeyNMNQRTSDLXZKGC-UHFFFAOYSA-N
MW279.47 g/mol
LogP1.99
Rot. Bonds

About 4-chloro-7-iodopyrazolo[1,5-a]pyrazine

4-chloro-7-iodopyrazolo[1,5-a]pyrazine (PubChem CID 155820924) has the molecular formula C6H3ClIN3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-chloro-7-iodopyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-chloro-7-iodopyrazolo[1,5-a]pyrazine
PubChem CID155820924
Molecular FormulaC6H3ClIN3
Molecular Weight279.47 g/mol
Exact Mass278.91
IUPAC Name4-chloro-7-iodopyrazolo[1,5-a]pyrazine
SMILESClc1ncc(I)n2nccc12
InChIInChI=1S/C6H3ClIN3/c7-6-4-1-2-10-11(4)5(8)3-9-6/h1-3H
InChIKeyNMNQRTSDLXZKGC-UHFFFAOYSA-N
XLogP1.99
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 51.99
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 4-chloro-7-iodopyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-chloro-7-iodopyrazolo[1,5-a]pyrazine (CID 155820924) is 4-chloro-7-iodopyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-chloro-7-iodopyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-chloro-7-iodopyrazolo[1,5-a]pyrazine is Clc1ncc(I)n2nccc12.
What is the InChIKey of 4-chloro-7-iodopyrazolo[1,5-a]pyrazine?
The InChIKey is NMNQRTSDLXZKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClIN3/c7-6-4-1-2-10-11(4)5(8)3-9-6/h1-3H.
What are the key properties of 4-chloro-7-iodopyrazolo[1,5-a]pyrazine?
4-chloro-7-iodopyrazolo[1,5-a]pyrazine has a molecular weight of 279.47 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-iodopyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 155820924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).