diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium

C16H16N2O4Ru — CID 174651960

IUPACdiethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
SMILESCCOC(=O)c1ccnc(-c2ccccn2)c1C(=O)OCC.[Ru]
InChIInChI=1S/C16H16N2O4.Ru/c1-3-21-15(19)11-8-10-18-14(12-7-5-6-9-17-12)13(11)16(20)22-4-2;/h5-10H,3-4H2,1-2H3;
InChIKeyUETVNTUIZQPNIC-UHFFFAOYSA-N
MW401.38 g/mol
LogP2.49
Rot. Bonds5

About diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium

diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium (PubChem CID 174651960) has the molecular formula C16H16N2O4Ru and a molecular weight of 401.38 g/mol. Its IUPAC name is diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium.

Molecular Properties

Compound Namediethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
PubChem CID174651960
Molecular FormulaC16H16N2O4Ru
Molecular Weight401.38 g/mol
Exact Mass402.02
IUPAC Namediethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
SMILESCCOC(=O)c1ccnc(-c2ccccn2)c1C(=O)OCC.[Ru]
InChIInChI=1S/C16H16N2O4.Ru/c1-3-21-15(19)11-8-10-18-14(12-7-5-6-9-17-12)13(11)16(20)22-4-2;/h5-10H,3-4H2,1-2H3;
InChIKeyUETVNTUIZQPNIC-UHFFFAOYSA-N
XLogP2.49
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-bromopyridine-3,4-dicarboxylate
CID 163204042
diethyl 2-chloropyridine-3,4-dicarboxylate
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ethyl 6-(2,2-dimethylpropyl)-2-pyridin-2-ylpyridine-3-carboxylate
CID 101498769
ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 601590
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 3,5-difluoro-2-pyridin-2-ylbenzoate
CID 56590056
2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride
CID 87501484
ethyl pyridine-2-carboxylate
CID 17307
ethyl 4-benzoyl-2-chloropyridine-3-carboxylate
CID 15850395
2,3-dipyridin-2-ylpyridine-4-carboxamide
CID 141257158
ethyl 3-oxo-5-pyridin-2-ylpyrazole-4-carboxylate
CID 70471541
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576

Frequently Asked Questions

What is the IUPAC name of diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium?
The IUPAC name of diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium (CID 174651960) is diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium.
What is the SMILES notation for diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium?
The canonical SMILES for diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium is CCOC(=O)c1ccnc(-c2ccccn2)c1C(=O)OCC.[Ru].
What is the InChIKey of diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium?
The InChIKey is UETVNTUIZQPNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4.Ru/c1-3-21-15(19)11-8-10-18-14(12-7-5-6-9-17-12)13(11)16(20)22-4-2;/h5-10H,3-4H2,1-2H3;.
What are the key properties of diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium?
diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium has a molecular weight of 401.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium is sourced from PubChem (CID 174651960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).