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

C13H11ClF2N2O — CID 178073291

IUPAC5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine
SMILESCc1nc(-c2ccc(F)cc2Cl)cnc1OCCF
InChIInChI=1S/C13H11ClF2N2O/c1-8-13(19-5-4-15)17-7-12(18-8)10-3-2-9(16)6-11(10)14/h2-3,6-7H,4-5H2,1H3
InChIKeyLTTNQQUMBRZXSZ-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.59
Rot. Bonds4

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

5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine (PubChem CID 178073291) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine
PubChem CID178073291
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine
SMILESCc1nc(-c2ccc(F)cc2Cl)cnc1OCCF
InChIInChI=1S/C13H11ClF2N2O/c1-8-13(19-5-4-15)17-7-12(18-8)10-3-2-9(16)6-11(10)14/h2-3,6-7H,4-5H2,1H3
InChIKeyLTTNQQUMBRZXSZ-UHFFFAOYSA-N
XLogP3.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.59
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-(2-fluoroethoxy)-3-methylpyrazine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine (CID 178073291) is 5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine is Cc1nc(-c2ccc(F)cc2Cl)cnc1OCCF.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine?
The InChIKey is LTTNQQUMBRZXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-8-13(19-5-4-15)17-7-12(18-8)10-3-2-9(16)6-11(10)14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine?
5-(2-chloro-4-fluorophenyl)-2-(2-fluoroethoxy)-3-methylpyrazine has a molecular weight of 284.69 g/mol, XLogP of 3.59, 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)-2-(2-fluoroethoxy)-3-methylpyrazine is sourced from PubChem (CID 178073291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).