2-chloro-5-(4-iodopyrazol-1-yl)pyrazine

C7H4ClIN4 — CID 130799909

IUPAC2-chloro-5-(4-iodopyrazol-1-yl)pyrazine
SMILESClc1cnc(-n2cc(I)cn2)cn1
InChIInChI=1S/C7H4ClIN4/c8-6-2-11-7(3-10-6)13-4-5(9)1-12-13/h1-4H
InChIKeyIKGAQXUGCFHITK-UHFFFAOYSA-N
MW306.49 g/mol
LogP1.92
Rot. Bonds1

About 2-chloro-5-(4-iodopyrazol-1-yl)pyrazine

2-chloro-5-(4-iodopyrazol-1-yl)pyrazine (PubChem CID 130799909) has the molecular formula C7H4ClIN4 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-chloro-5-(4-iodopyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(4-iodopyrazol-1-yl)pyrazine
PubChem CID130799909
Molecular FormulaC7H4ClIN4
Molecular Weight306.49 g/mol
Exact Mass305.92
IUPAC Name2-chloro-5-(4-iodopyrazol-1-yl)pyrazine
SMILESClc1cnc(-n2cc(I)cn2)cn1
InChIInChI=1S/C7H4ClIN4/c8-6-2-11-7(3-10-6)13-4-5(9)1-12-13/h1-4H
InChIKeyIKGAQXUGCFHITK-UHFFFAOYSA-N
XLogP1.92
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-iodopyrazol-1-yl)pyrazine?
The IUPAC name of 2-chloro-5-(4-iodopyrazol-1-yl)pyrazine (CID 130799909) is 2-chloro-5-(4-iodopyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-5-(4-iodopyrazol-1-yl)pyrazine?
The canonical SMILES for 2-chloro-5-(4-iodopyrazol-1-yl)pyrazine is Clc1cnc(-n2cc(I)cn2)cn1.
What is the InChIKey of 2-chloro-5-(4-iodopyrazol-1-yl)pyrazine?
The InChIKey is IKGAQXUGCFHITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN4/c8-6-2-11-7(3-10-6)13-4-5(9)1-12-13/h1-4H.
What are the key properties of 2-chloro-5-(4-iodopyrazol-1-yl)pyrazine?
2-chloro-5-(4-iodopyrazol-1-yl)pyrazine has a molecular weight of 306.49 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-iodopyrazol-1-yl)pyrazine is sourced from PubChem (CID 130799909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).