5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine

C13H12ClFN2O — CID 178072923

IUPAC5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine
SMILESCCOc1ncc(-c2ccc(F)cc2Cl)nc1C
InChIInChI=1S/C13H12ClFN2O/c1-3-18-13-8(2)17-12(7-16-13)10-5-4-9(15)6-11(10)14/h4-7H,3H2,1-2H3
InChIKeyKHKGCKPDJWBSTJ-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.64
Rot. Bonds3

About 5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine

5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine (PubChem CID 178072923) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine
PubChem CID178072923
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine
SMILESCCOc1ncc(-c2ccc(F)cc2Cl)nc1C
InChIInChI=1S/C13H12ClFN2O/c1-3-18-13-8(2)17-12(7-16-13)10-5-4-9(15)6-11(10)14/h4-7H,3H2,1-2H3
InChIKeyKHKGCKPDJWBSTJ-UHFFFAOYSA-N
XLogP3.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine (CID 178072923) is 5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine is CCOc1ncc(-c2ccc(F)cc2Cl)nc1C.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine?
The InChIKey is KHKGCKPDJWBSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-3-18-13-8(2)17-12(7-16-13)10-5-4-9(15)6-11(10)14/h4-7H,3H2,1-2H3.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine?
5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine has a molecular weight of 266.70 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-2-ethoxy-3-methylpyrazine is sourced from PubChem (CID 178072923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).