1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione

C22H14N4O2 — CID 11760311

IUPAC1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione
SMILESO=C(C(=O)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C22H14N4O2/c27-21(19-11-5-9-17(25-19)15-7-1-3-13-23-15)22(28)20-12-6-10-18(26-20)16-8-2-4-14-24-16/h1-14H
InChIKeyMRZNVFUXNIVMCZ-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.67
Rot. Bonds5

About 1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione

1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione (PubChem CID 11760311) has the molecular formula C22H14N4O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione
PubChem CID11760311
Molecular FormulaC22H14N4O2
Molecular Weight366.38 g/mol
Exact Mass366.11
IUPAC Name1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione
SMILESO=C(C(=O)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C22H14N4O2/c27-21(19-11-5-9-17(25-19)15-7-1-3-13-23-15)22(28)20-12-6-10-18(26-20)16-8-2-4-14-24-16/h1-14H
InChIKeyMRZNVFUXNIVMCZ-UHFFFAOYSA-N
XLogP3.67
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Di-2-pyridylethanedione
CID 68115
Bis(2-pyridyl) ketone
CID 88065
Piperazine-1,4-diylbis(pyridin-2-ylmethanone)
CID 258989
1-[2-Oxo-2-(2-pyridyl)ethyl]pyridinium Iodide
CID 213499
1,3-Di(2-pyridyl)-1,3-propanedione
CID 2728494
N'~2~,N'~6~-bis(2-pyridinylmethylene)-2,6-pyridinedicarbohydrazide
CID 5437141
(E)-1,3-bis(2-pyridyl)prop-2-en-1-one
CID 6474703
1,5-Bis(2-pyridyl)-1,3,5-pentanetrione
CID 11369181
[3-(4-Phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 24819464
1,2-Bis(5-methyl-2-pyridinyl)ethane-1,2-dione
CID 44579452
Bis[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone
CID 118706530
N2,N6-bis(pyridin-4-yl)pyridine-2,6-dicarboxamide
CID 4345862

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione (CID 11760311) is 1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione is O=C(C(=O)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.
What is the InChIKey of 1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione?
The InChIKey is MRZNVFUXNIVMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2/c27-21(19-11-5-9-17(25-19)15-7-1-3-13-23-15)22(28)20-12-6-10-18(26-20)16-8-2-4-14-24-16/h1-14H.
What are the key properties of 1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione?
1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione has a molecular weight of 366.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione is sourced from PubChem (CID 11760311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).