2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine

C6H3I2N3 — CID 88944324

IUPAC2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine
SMILESIc1cnc2[nH]cc(I)c2n1
InChIInChI=1S/C6H3I2N3/c7-3-1-9-6-5(3)11-4(8)2-10-6/h1-2H,(H,9,10)
InChIKeyDFWIJBMKMRRCCP-UHFFFAOYSA-N
MW370.92 g/mol
LogP2.17
Rot. Bonds

About 2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine

2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 88944324) has the molecular formula C6H3I2N3 and a molecular weight of 370.92 g/mol. Its IUPAC name is 2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine
PubChem CID88944324
Molecular FormulaC6H3I2N3
Molecular Weight370.92 g/mol
Exact Mass370.84
IUPAC Name2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine
SMILESIc1cnc2[nH]cc(I)c2n1
InChIInChI=1S/C6H3I2N3/c7-3-1-9-6-5(3)11-4(8)2-10-6/h1-2H,(H,9,10)
InChIKeyDFWIJBMKMRRCCP-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine;2-chloro-5H-pyrrolo[2,3-b]pyrazine
CID 158480244
7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 90104537
2-chloro-7-methyl-5H-pyrrolo[2,3-b]pyrazine;ethane;methanamine
CID 142547373
5-cyclohexyl-3-iodo-1H-pyrrolo[2,3-b]pyridine
CID 59238866
CID 170788920
CID 170788920
3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 118254316
4,5-diiodo-1H-pyrrolo[2,3-b]pyridine
CID 129093662
7-methoxy-2-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 170012027
7-tert-butyl-2-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 147144510
4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
CID 58754724
5-iodo-2,4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 10659823
5H-pyrrolo[2,3-b]pyrazine-2,7-dicarboxamide
CID 177290599

Frequently Asked Questions

What is the IUPAC name of 2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine (CID 88944324) is 2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine is Ic1cnc2[nH]cc(I)c2n1.
What is the InChIKey of 2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is DFWIJBMKMRRCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3I2N3/c7-3-1-9-6-5(3)11-4(8)2-10-6/h1-2H,(H,9,10).
What are the key properties of 2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine?
2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 370.92 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diiodo-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 88944324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).