2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine

C8H9ClN2O2 — CID 107373834

IUPAC2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine
SMILESClCc1cnc(OC2COC2)cn1
InChIInChI=1S/C8H9ClN2O2/c9-1-6-2-11-8(3-10-6)13-7-4-12-5-7/h2-3,7H,1,4-5H2
InChIKeyDLFWXRDFFWOKEM-UHFFFAOYSA-N
MW200.62 g/mol
LogP0.99
Rot. Bonds3

About 2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine

2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine (PubChem CID 107373834) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine
PubChem CID107373834
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine
SMILESClCc1cnc(OC2COC2)cn1
InChIInChI=1S/C8H9ClN2O2/c9-1-6-2-11-8(3-10-6)13-7-4-12-5-7/h2-3,7H,1,4-5H2
InChIKeyDLFWXRDFFWOKEM-UHFFFAOYSA-N
XLogP0.99
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 50.99
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

5-(oxetan-3-yloxy)pyrazine-2-carbonitrile
CID 102606284
2-methyl-N-[[5-(oxolan-3-yloxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107382130
4-(chloromethyl)-2-(oxetan-3-yloxy)-1,3-oxazole
CID 102607155
5-methyl-2-(oxetan-3-yloxy)pyridine
CID 126954908
2-(oxetan-3-yloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
CID 172644636
5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine
CID 63557481
1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
CID 102604862
4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline
CID 102607148
2-methyl-N-[[5-(oxan-4-yloxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381295
2-(chloromethyl)-5-(2-propan-2-yloxyethoxy)pyrazine
CID 107373642
5-cyclopropyloxy-N,N-dimethylpyrazin-2-amine
CID 133061297
2-(chloromethyl)-5-cyclopropyloxypyridine
CID 130562964

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine?
The IUPAC name of 2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine (CID 107373834) is 2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine?
The canonical SMILES for 2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine is ClCc1cnc(OC2COC2)cn1.
What is the InChIKey of 2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine?
The InChIKey is DLFWXRDFFWOKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-1-6-2-11-8(3-10-6)13-7-4-12-5-7/h2-3,7H,1,4-5H2.
What are the key properties of 2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine?
2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine has a molecular weight of 200.62 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(oxetan-3-yloxy)pyrazine is sourced from PubChem (CID 107373834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).