5-(chloromethyl)-2,3-dimethoxypyrazine

C7H9ClN2O2 — CID 130116377

IUPAC5-(chloromethyl)-2,3-dimethoxypyrazine
SMILESCOc1ncc(CCl)nc1OC
InChIInChI=1S/C7H9ClN2O2/c1-11-6-7(12-2)10-5(3-8)4-9-6/h4H,3H2,1-2H3
InChIKeyFHECZJRHGYAOSI-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.23
Rot. Bonds3

About 5-(chloromethyl)-2,3-dimethoxypyrazine

5-(chloromethyl)-2,3-dimethoxypyrazine (PubChem CID 130116377) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 5-(chloromethyl)-2,3-dimethoxypyrazine.

Molecular Properties

Compound Name5-(chloromethyl)-2,3-dimethoxypyrazine
PubChem CID130116377
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name5-(chloromethyl)-2,3-dimethoxypyrazine
SMILESCOc1ncc(CCl)nc1OC
InChIInChI=1S/C7H9ClN2O2/c1-11-6-7(12-2)10-5(3-8)4-9-6/h4H,3H2,1-2H3
InChIKeyFHECZJRHGYAOSI-UHFFFAOYSA-N
XLogP1.23
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-(3-methylbutan-2-ylsulfanylmethyl)pyrazine
CID 166951608
5-fluoro-2,3-dimethoxypyrazine
CID 169098366
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
3-methoxy-2-methyl-5-propylpyrazine
CID 154131793
5-ethenyl-2,3-dimethoxypyrazine
CID 163871924
1-chloro-6-[(5,6-dimethoxypyrazin-2-yl)methylsulfanyl]naphthalen-2-ol
CID 166951592
(5-bromo-3-chloro-2-methoxy-4-pyridinyl)methanol
CID 164890892
6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine
CID 131870572
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100950
5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087871
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2,3-dimethoxypyrazine?
The IUPAC name of 5-(chloromethyl)-2,3-dimethoxypyrazine (CID 130116377) is 5-(chloromethyl)-2,3-dimethoxypyrazine.
What is the SMILES notation for 5-(chloromethyl)-2,3-dimethoxypyrazine?
The canonical SMILES for 5-(chloromethyl)-2,3-dimethoxypyrazine is COc1ncc(CCl)nc1OC.
What is the InChIKey of 5-(chloromethyl)-2,3-dimethoxypyrazine?
The InChIKey is FHECZJRHGYAOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-11-6-7(12-2)10-5(3-8)4-9-6/h4H,3H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2,3-dimethoxypyrazine?
5-(chloromethyl)-2,3-dimethoxypyrazine has a molecular weight of 188.61 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2,3-dimethoxypyrazine is sourced from PubChem (CID 130116377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).