1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione

C11H7N3O2 — CID 57283550

IUPAC1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione
SMILESO=C(C(=O)c1cnccn1)c1cccnc1
InChIInChI=1S/C11H7N3O2/c15-10(8-2-1-3-12-6-8)11(16)9-7-13-4-5-14-9/h1-7H
InChIKeyZFVZNDIAZCPHPN-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.94
Rot. Bonds3

About 1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione

1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione (PubChem CID 57283550) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione.

Molecular Properties

Compound Name1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione
PubChem CID57283550
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione
SMILESO=C(C(=O)c1cnccn1)c1cccnc1
InChIInChI=1S/C11H7N3O2/c15-10(8-2-1-3-12-6-8)11(16)9-7-13-4-5-14-9/h1-7H
InChIKeyZFVZNDIAZCPHPN-UHFFFAOYSA-N
XLogP0.94
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
2,3-dioxo-3-pyridin-3-ylpropanoic acid
CID 83529828
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
CID 157283677
CID 157283677
CID 131854915
CID 131854915
nickel;pyridine-3-carboxylic acid
CID 174049937
2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
CID 141355230
N'-(1-pyridin-3-ylethylideneamino)pyrazine-2-carboximidamide
CID 3442008
methane;pyridine-3-carboxamide
CID 19390506
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
CID 175154223
CID 175154223
neodymium(3+);pyridine-3-carboxylate
CID 23619365

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione?
The IUPAC name of 1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione (CID 57283550) is 1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione.
What is the SMILES notation for 1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione?
The canonical SMILES for 1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione is O=C(C(=O)c1cnccn1)c1cccnc1.
What is the InChIKey of 1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione?
The InChIKey is ZFVZNDIAZCPHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-10(8-2-1-3-12-6-8)11(16)9-7-13-4-5-14-9/h1-7H.
What are the key properties of 1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione?
1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione has a molecular weight of 213.20 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-2-pyridin-3-ylethane-1,2-dione is sourced from PubChem (CID 57283550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).