2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine

C7H5BrIN3 — CID 121231693

IUPAC2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine
SMILESCn1cc(I)c2nc(Br)cnc21
InChIInChI=1S/C7H5BrIN3/c1-12-3-4(9)6-7(12)10-2-5(8)11-6/h2-3H,1H3
InChIKeyRCRGQDPKSQZEDU-UHFFFAOYSA-N
MW337.95 g/mol
LogP2.34
Rot. Bonds

About 2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine

2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine (PubChem CID 121231693) has the molecular formula C7H5BrIN3 and a molecular weight of 337.95 g/mol. Its IUPAC name is 2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine
PubChem CID121231693
Molecular FormulaC7H5BrIN3
Molecular Weight337.95 g/mol
Exact Mass336.87
IUPAC Name2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine
SMILESCn1cc(I)c2nc(Br)cnc21
InChIInChI=1S/C7H5BrIN3/c1-12-3-4(9)6-7(12)10-2-5(8)11-6/h2-3H,1H3
InChIKeyRCRGQDPKSQZEDU-UHFFFAOYSA-N
XLogP2.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.95
LogP ≤ 52.34
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 2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine (CID 121231693) is 2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine is Cn1cc(I)c2nc(Br)cnc21.
What is the InChIKey of 2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine?
The InChIKey is RCRGQDPKSQZEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrIN3/c1-12-3-4(9)6-7(12)10-2-5(8)11-6/h2-3H,1H3.
What are the key properties of 2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine?
2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine has a molecular weight of 337.95 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 121231693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).