2-chloro-5-(3-methylbutoxymethyl)pyrazine

C10H15ClN2O — CID 103054737

IUPAC2-chloro-5-(3-methylbutoxymethyl)pyrazine
SMILESCC(C)CCOCc1cnc(Cl)cn1
InChIInChI=1S/C10H15ClN2O/c1-8(2)3-4-14-7-9-5-13-10(11)6-12-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKOVRUEMRHDCDQI-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.69
Rot. Bonds5

About 2-chloro-5-(3-methylbutoxymethyl)pyrazine

2-chloro-5-(3-methylbutoxymethyl)pyrazine (PubChem CID 103054737) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-chloro-5-(3-methylbutoxymethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(3-methylbutoxymethyl)pyrazine
PubChem CID103054737
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name2-chloro-5-(3-methylbutoxymethyl)pyrazine
SMILESCC(C)CCOCc1cnc(Cl)cn1
InChIInChI=1S/C10H15ClN2O/c1-8(2)3-4-14-7-9-5-13-10(11)6-12-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyKOVRUEMRHDCDQI-UHFFFAOYSA-N
XLogP2.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methylbutoxymethyl)pyrazine?
The IUPAC name of 2-chloro-5-(3-methylbutoxymethyl)pyrazine (CID 103054737) is 2-chloro-5-(3-methylbutoxymethyl)pyrazine.
What is the SMILES notation for 2-chloro-5-(3-methylbutoxymethyl)pyrazine?
The canonical SMILES for 2-chloro-5-(3-methylbutoxymethyl)pyrazine is CC(C)CCOCc1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-(3-methylbutoxymethyl)pyrazine?
The InChIKey is KOVRUEMRHDCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-8(2)3-4-14-7-9-5-13-10(11)6-12-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-5-(3-methylbutoxymethyl)pyrazine?
2-chloro-5-(3-methylbutoxymethyl)pyrazine has a molecular weight of 214.70 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methylbutoxymethyl)pyrazine is sourced from PubChem (CID 103054737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).