3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one

C10H7ClFN3O — CID 178183749

IUPAC3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one
SMILESNc1ncc(-c2cc(F)ccc2Cl)[nH]c1=O
InChIInChI=1S/C10H7ClFN3O/c11-7-2-1-5(12)3-6(7)8-4-14-9(13)10(16)15-8/h1-4H,(H2,13,14)(H,15,16)
InChIKeyXIGYBOVEPGJGKQ-UHFFFAOYSA-N
MW239.64 g/mol
LogP1.81
Rot. Bonds1

About 3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one

3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one (PubChem CID 178183749) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one
PubChem CID178183749
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one
SMILESNc1ncc(-c2cc(F)ccc2Cl)[nH]c1=O
InChIInChI=1S/C10H7ClFN3O/c11-7-2-1-5(12)3-6(7)8-4-14-9(13)10(16)15-8/h1-4H,(H2,13,14)(H,15,16)
InChIKeyXIGYBOVEPGJGKQ-UHFFFAOYSA-N
XLogP1.81
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one?
The IUPAC name of 3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one (CID 178183749) is 3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one is Nc1ncc(-c2cc(F)ccc2Cl)[nH]c1=O.
What is the InChIKey of 3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one?
The InChIKey is XIGYBOVEPGJGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c11-7-2-1-5(12)3-6(7)8-4-14-9(13)10(16)15-8/h1-4H,(H2,13,14)(H,15,16).
What are the key properties of 3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one?
3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one has a molecular weight of 239.64 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-chloro-5-fluorophenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 178183749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).