2-(iodomethyl)-3-methoxypyrazine

C6H7IN2O — CID 174942843

IUPAC2-(iodomethyl)-3-methoxypyrazine
SMILESCOc1nccnc1CI
InChIInChI=1S/C6H7IN2O/c1-10-6-5(4-7)8-2-3-9-6/h2-3H,4H2,1H3
InChIKeyYNCGXWWSFFJDHR-UHFFFAOYSA-N
MW250.04 g/mol
LogP1.42
Rot. Bonds2

About 2-(iodomethyl)-3-methoxypyrazine

2-(iodomethyl)-3-methoxypyrazine (PubChem CID 174942843) has the molecular formula C6H7IN2O and a molecular weight of 250.04 g/mol. Its IUPAC name is 2-(iodomethyl)-3-methoxypyrazine.

Molecular Properties

Compound Name2-(iodomethyl)-3-methoxypyrazine
PubChem CID174942843
Molecular FormulaC6H7IN2O
Molecular Weight250.04 g/mol
Exact Mass249.96
IUPAC Name2-(iodomethyl)-3-methoxypyrazine
SMILESCOc1nccnc1CI
InChIInChI=1S/C6H7IN2O/c1-10-6-5(4-7)8-2-3-9-6/h2-3H,4H2,1H3
InChIKeyYNCGXWWSFFJDHR-UHFFFAOYSA-N
XLogP1.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxypyrazin-2-yl)propanal
CID 104516368
2-decyl-3-methoxypyrazine
CID 528301
N-[(3-methoxypyrazin-2-yl)methyl]propan-2-amine
CID 66569579
2-ethyl-3-(iodomethyl)pyrazine
CID 166788524
ethyl 2-(3-methoxypyrazin-2-yl)acetate
CID 112692734
3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine
CID 104516398
2-(3-bromo-4,4-dimethylpentyl)-3-methoxypyrazine
CID 104516492
3-[(3-methoxypyrazin-2-yl)methyl]pyridin-4-amine
CID 104516357
2-methoxy-3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
CID 71642986
4-[(3-methoxypyrazin-2-yl)methylamino]cyclohexan-1-ol
CID 71648392
3-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
CID 104516432
2-methoxy-3-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine
CID 22260396

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-3-methoxypyrazine?
The IUPAC name of 2-(iodomethyl)-3-methoxypyrazine (CID 174942843) is 2-(iodomethyl)-3-methoxypyrazine.
What is the SMILES notation for 2-(iodomethyl)-3-methoxypyrazine?
The canonical SMILES for 2-(iodomethyl)-3-methoxypyrazine is COc1nccnc1CI.
What is the InChIKey of 2-(iodomethyl)-3-methoxypyrazine?
The InChIKey is YNCGXWWSFFJDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O/c1-10-6-5(4-7)8-2-3-9-6/h2-3H,4H2,1H3.
What are the key properties of 2-(iodomethyl)-3-methoxypyrazine?
2-(iodomethyl)-3-methoxypyrazine has a molecular weight of 250.04 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-3-methoxypyrazine is sourced from PubChem (CID 174942843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).