2-pyrazin-2-yl-1-pyridin-3-ylethanone

C11H9N3O — CID 23423782

IUPAC2-pyrazin-2-yl-1-pyridin-3-ylethanone
SMILESO=C(Cc1cnccn1)c1cccnc1
InChIInChI=1S/C11H9N3O/c15-11(9-2-1-3-12-7-9)6-10-8-13-4-5-14-10/h1-5,7-8H,6H2
InChIKeyDNYMXLFQUDPKPT-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.30
Rot. Bonds3

About 2-pyrazin-2-yl-1-pyridin-3-ylethanone

2-pyrazin-2-yl-1-pyridin-3-ylethanone (PubChem CID 23423782) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-pyrazin-2-yl-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-pyrazin-2-yl-1-pyridin-3-ylethanone
PubChem CID23423782
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2-pyrazin-2-yl-1-pyridin-3-ylethanone
SMILESO=C(Cc1cnccn1)c1cccnc1
InChIInChI=1S/C11H9N3O/c15-11(9-2-1-3-12-7-9)6-10-8-13-4-5-14-10/h1-5,7-8H,6H2
InChIKeyDNYMXLFQUDPKPT-UHFFFAOYSA-N
XLogP1.30
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-1-pyridin-3-ylethanone?
The IUPAC name of 2-pyrazin-2-yl-1-pyridin-3-ylethanone (CID 23423782) is 2-pyrazin-2-yl-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-pyrazin-2-yl-1-pyridin-3-ylethanone?
The canonical SMILES for 2-pyrazin-2-yl-1-pyridin-3-ylethanone is O=C(Cc1cnccn1)c1cccnc1.
What is the InChIKey of 2-pyrazin-2-yl-1-pyridin-3-ylethanone?
The InChIKey is DNYMXLFQUDPKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-11(9-2-1-3-12-7-9)6-10-8-13-4-5-14-10/h1-5,7-8H,6H2.
What are the key properties of 2-pyrazin-2-yl-1-pyridin-3-ylethanone?
2-pyrazin-2-yl-1-pyridin-3-ylethanone has a molecular weight of 199.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-1-pyridin-3-ylethanone is sourced from PubChem (CID 23423782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).