5-methoxypyrazine-2-carbonyl chloride

C6H5ClN2O2 — CID 119084220

IUPAC5-methoxypyrazine-2-carbonyl chloride
SMILESCOc1cnc(C(=O)Cl)cn1
InChIInChI=1S/C6H5ClN2O2/c1-11-5-3-8-4(2-9-5)6(7)10/h2-3H,1H3
InChIKeySGPJYKGDQKFDRD-UHFFFAOYSA-N
MW172.57 g/mol
LogP0.86
Rot. Bonds2

About 5-methoxypyrazine-2-carbonyl chloride

5-methoxypyrazine-2-carbonyl chloride (PubChem CID 119084220) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 5-methoxypyrazine-2-carbonyl chloride.

Molecular Properties

Compound Name5-methoxypyrazine-2-carbonyl chloride
PubChem CID119084220
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name5-methoxypyrazine-2-carbonyl chloride
SMILESCOc1cnc(C(=O)Cl)cn1
InChIInChI=1S/C6H5ClN2O2/c1-11-5-3-8-4(2-9-5)6(7)10/h2-3H,1H3
InChIKeySGPJYKGDQKFDRD-UHFFFAOYSA-N
XLogP0.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxypyrazine-2-carbonyl chloride?
The IUPAC name of 5-methoxypyrazine-2-carbonyl chloride (CID 119084220) is 5-methoxypyrazine-2-carbonyl chloride.
What is the SMILES notation for 5-methoxypyrazine-2-carbonyl chloride?
The canonical SMILES for 5-methoxypyrazine-2-carbonyl chloride is COc1cnc(C(=O)Cl)cn1.
What is the InChIKey of 5-methoxypyrazine-2-carbonyl chloride?
The InChIKey is SGPJYKGDQKFDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c1-11-5-3-8-4(2-9-5)6(7)10/h2-3H,1H3.
What are the key properties of 5-methoxypyrazine-2-carbonyl chloride?
5-methoxypyrazine-2-carbonyl chloride has a molecular weight of 172.57 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyrazine-2-carbonyl chloride is sourced from PubChem (CID 119084220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).