2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine

C9H11ClN2O — CID 66468694

IUPAC2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine
SMILESClCc1cncc(OCC2CC2)n1
InChIInChI=1S/C9H11ClN2O/c10-3-8-4-11-5-9(12-8)13-6-7-1-2-7/h4-5,7H,1-3,6H2
InChIKeyUQLKLLXYAOEGHI-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.00
Rot. Bonds4

About 2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine

2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine (PubChem CID 66468694) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine
PubChem CID66468694
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine
SMILESClCc1cncc(OCC2CC2)n1
InChIInChI=1S/C9H11ClN2O/c10-3-8-4-11-5-9(12-8)13-6-7-1-2-7/h4-5,7H,1-3,6H2
InChIKeyUQLKLLXYAOEGHI-UHFFFAOYSA-N
XLogP2.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine?
The IUPAC name of 2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine (CID 66468694) is 2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine is ClCc1cncc(OCC2CC2)n1.
What is the InChIKey of 2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine?
The InChIKey is UQLKLLXYAOEGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-3-8-4-11-5-9(12-8)13-6-7-1-2-7/h4-5,7H,1-3,6H2.
What are the key properties of 2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine?
2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine has a molecular weight of 198.65 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(cyclopropylmethoxy)pyrazine is sourced from PubChem (CID 66468694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).