5-iodo-1,3-dimethyl-2H-pyrazine

C6H9IN2 — CID 54121932

IUPAC5-iodo-1,3-dimethyl-2H-pyrazine
SMILESCC1=NC(I)=CN(C)C1
InChIInChI=1S/C6H9IN2/c1-5-3-9(2)4-6(7)8-5/h4H,3H2,1-2H3
InChIKeyNOHWTRSVTMIYAX-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.63
Rot. Bonds

About 5-iodo-1,3-dimethyl-2H-pyrazine

5-iodo-1,3-dimethyl-2H-pyrazine (PubChem CID 54121932) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 5-iodo-1,3-dimethyl-2H-pyrazine.

Molecular Properties

Compound Name5-iodo-1,3-dimethyl-2H-pyrazine
PubChem CID54121932
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC Name5-iodo-1,3-dimethyl-2H-pyrazine
SMILESCC1=NC(I)=CN(C)C1
InChIInChI=1S/C6H9IN2/c1-5-3-9(2)4-6(7)8-5/h4H,3H2,1-2H3
InChIKeyNOHWTRSVTMIYAX-UHFFFAOYSA-N
XLogP1.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1,3-dimethyl-2H-pyrazine?
The IUPAC name of 5-iodo-1,3-dimethyl-2H-pyrazine (CID 54121932) is 5-iodo-1,3-dimethyl-2H-pyrazine.
What is the SMILES notation for 5-iodo-1,3-dimethyl-2H-pyrazine?
The canonical SMILES for 5-iodo-1,3-dimethyl-2H-pyrazine is CC1=NC(I)=CN(C)C1.
What is the InChIKey of 5-iodo-1,3-dimethyl-2H-pyrazine?
The InChIKey is NOHWTRSVTMIYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2/c1-5-3-9(2)4-6(7)8-5/h4H,3H2,1-2H3.
What are the key properties of 5-iodo-1,3-dimethyl-2H-pyrazine?
5-iodo-1,3-dimethyl-2H-pyrazine has a molecular weight of 236.06 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,3-dimethyl-2H-pyrazine is sourced from PubChem (CID 54121932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).