2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol

C15H17ClFN3O — CID 175244850

IUPAC2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol
SMILESFc1ccc(-c2cncc(Cl)n2)cc1.OC1CCNCC1
InChIInChI=1S/C10H6ClFN2.C5H11NO/c11-10-6-13-5-9(14-10)7-1-3-8(12)4-2-7;7-5-1-3-6-4-2-5/h1-6H;5-7H,1-4H2
InChIKeyZCTBQPVKETUSJQ-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.67
Rot. Bonds1

About 2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol

2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol (PubChem CID 175244850) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol.

Molecular Properties

Compound Name2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol
PubChem CID175244850
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol
SMILESFc1ccc(-c2cncc(Cl)n2)cc1.OC1CCNCC1
InChIInChI=1S/C10H6ClFN2.C5H11NO/c11-10-6-13-5-9(14-10)7-1-3-8(12)4-2-7;7-5-1-3-6-4-2-5/h1-6H;5-7H,1-4H2
InChIKeyZCTBQPVKETUSJQ-UHFFFAOYSA-N
XLogP2.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol?
The IUPAC name of 2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol (CID 175244850) is 2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol.
What is the SMILES notation for 2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol?
The canonical SMILES for 2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol is Fc1ccc(-c2cncc(Cl)n2)cc1.OC1CCNCC1.
What is the InChIKey of 2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol?
The InChIKey is ZCTBQPVKETUSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2.C5H11NO/c11-10-6-13-5-9(14-10)7-1-3-8(12)4-2-7;7-5-1-3-6-4-2-5/h1-6H;5-7H,1-4H2.
What are the key properties of 2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol?
2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol has a molecular weight of 309.77 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluorophenyl)pyrazine;piperidin-4-ol is sourced from PubChem (CID 175244850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).