3-(2-fluoroanilino)-1H-pyrazin-2-one

C10H8FN3O — CID 146198854

IUPAC3-(2-fluoroanilino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Nc1ccccc1F
InChIInChI=1S/C10H8FN3O/c11-7-3-1-2-4-8(7)14-9-10(15)13-6-5-12-9/h1-6H,(H,12,14)(H,13,15)
InChIKeyOFSCJMKUYZNGTR-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.65
Rot. Bonds2

About 3-(2-fluoroanilino)-1H-pyrazin-2-one

3-(2-fluoroanilino)-1H-pyrazin-2-one (PubChem CID 146198854) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-(2-fluoroanilino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2-fluoroanilino)-1H-pyrazin-2-one
PubChem CID146198854
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name3-(2-fluoroanilino)-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1Nc1ccccc1F
InChIInChI=1S/C10H8FN3O/c11-7-3-1-2-4-8(7)14-9-10(15)13-6-5-12-9/h1-6H,(H,12,14)(H,13,15)
InChIKeyOFSCJMKUYZNGTR-UHFFFAOYSA-N
XLogP1.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)-1H-pyrazin-2-one?
The IUPAC name of 3-(2-fluoroanilino)-1H-pyrazin-2-one (CID 146198854) is 3-(2-fluoroanilino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2-fluoroanilino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(2-fluoroanilino)-1H-pyrazin-2-one is O=c1[nH]ccnc1Nc1ccccc1F.
What is the InChIKey of 3-(2-fluoroanilino)-1H-pyrazin-2-one?
The InChIKey is OFSCJMKUYZNGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-7-3-1-2-4-8(7)14-9-10(15)13-6-5-12-9/h1-6H,(H,12,14)(H,13,15).
What are the key properties of 3-(2-fluoroanilino)-1H-pyrazin-2-one?
3-(2-fluoroanilino)-1H-pyrazin-2-one has a molecular weight of 205.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroanilino)-1H-pyrazin-2-one is sourced from PubChem (CID 146198854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).