2-chloro-6-prop-2-ynoxypyrazine

C7H5ClN2O — CID 18186849

IUPAC2-chloro-6-prop-2-ynoxypyrazine
SMILESC#CCOc1cncc(Cl)n1
InChIInChI=1S/C7H5ClN2O/c1-2-3-11-7-5-9-4-6(8)10-7/h1,4-5H,3H2
InChIKeyWBVIVIOAWVQYNO-UHFFFAOYSA-N
MW168.58 g/mol
LogP1.14
Rot. Bonds2

About 2-chloro-6-prop-2-ynoxypyrazine

2-chloro-6-prop-2-ynoxypyrazine (PubChem CID 18186849) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 2-chloro-6-prop-2-ynoxypyrazine.

Molecular Properties

Compound Name2-chloro-6-prop-2-ynoxypyrazine
PubChem CID18186849
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name2-chloro-6-prop-2-ynoxypyrazine
SMILESC#CCOc1cncc(Cl)n1
InChIInChI=1S/C7H5ClN2O/c1-2-3-11-7-5-9-4-6(8)10-7/h1,4-5H,3H2
InChIKeyWBVIVIOAWVQYNO-UHFFFAOYSA-N
XLogP1.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-6-prop-2-ynoxypyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-prop-2-ynoxypyrazine?
The IUPAC name of 2-chloro-6-prop-2-ynoxypyrazine (CID 18186849) is 2-chloro-6-prop-2-ynoxypyrazine.
What is the SMILES notation for 2-chloro-6-prop-2-ynoxypyrazine?
The canonical SMILES for 2-chloro-6-prop-2-ynoxypyrazine is C#CCOc1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-prop-2-ynoxypyrazine?
The InChIKey is WBVIVIOAWVQYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c1-2-3-11-7-5-9-4-6(8)10-7/h1,4-5H,3H2.
What are the key properties of 2-chloro-6-prop-2-ynoxypyrazine?
2-chloro-6-prop-2-ynoxypyrazine has a molecular weight of 168.58 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-prop-2-ynoxypyrazine is sourced from PubChem (CID 18186849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).