5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine

C14H14ClFN2O — CID 178073106

IUPAC5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine
SMILESCCCOc1ncc(-c2ccc(F)cc2Cl)nc1C
InChIInChI=1S/C14H14ClFN2O/c1-3-6-19-14-9(2)18-13(8-17-14)11-5-4-10(16)7-12(11)15/h4-5,7-8H,3,6H2,1-2H3
InChIKeyBDRYYQOZLAOKRW-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.03
Rot. Bonds4

About 5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine

5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine (PubChem CID 178073106) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine
PubChem CID178073106
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine
SMILESCCCOc1ncc(-c2ccc(F)cc2Cl)nc1C
InChIInChI=1S/C14H14ClFN2O/c1-3-6-19-14-9(2)18-13(8-17-14)11-5-4-10(16)7-12(11)15/h4-5,7-8H,3,6H2,1-2H3
InChIKeyBDRYYQOZLAOKRW-UHFFFAOYSA-N
XLogP4.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.03
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)-3-methyl-2-propoxypyrazine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine (CID 178073106) is 5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine is CCCOc1ncc(-c2ccc(F)cc2Cl)nc1C.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine?
The InChIKey is BDRYYQOZLAOKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-3-6-19-14-9(2)18-13(8-17-14)11-5-4-10(16)7-12(11)15/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine?
5-(2-chloro-4-fluorophenyl)-3-methyl-2-propoxypyrazine has a molecular weight of 280.73 g/mol, XLogP of 4.03, 4 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)-3-methyl-2-propoxypyrazine is sourced from PubChem (CID 178073106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).