2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium

C18H17N3O2Ru — CID 175593877

IUPAC2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium
SMILESCc1cccnc1C.O=C(O)c1cccnc1-c1ccccn1.[Ru]
InChIInChI=1S/C11H8N2O2.C7H9N.Ru/c14-11(15)8-4-3-7-13-10(8)9-5-1-2-6-12-9;1-6-4-3-5-8-7(6)2;/h1-7H,(H,14,15);3-5H,1-2H3;
InChIKeyOYOACVAVVARMEE-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.54
Rot. Bonds2

About 2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium

2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium (PubChem CID 175593877) has the molecular formula C18H17N3O2Ru and a molecular weight of 408.42 g/mol. Its IUPAC name is 2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium.

Molecular Properties

Compound Name2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium
PubChem CID175593877
Molecular FormulaC18H17N3O2Ru
Molecular Weight408.42 g/mol
Exact Mass409.04
IUPAC Name2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium
SMILESCc1cccnc1C.O=C(O)c1cccnc1-c1ccccn1.[Ru]
InChIInChI=1S/C11H8N2O2.C7H9N.Ru/c14-11(15)8-4-3-7-13-10(8)9-5-1-2-6-12-9;1-6-4-3-5-8-7(6)2;/h1-7H,(H,14,15);3-5H,1-2H3;
InChIKeyOYOACVAVVARMEE-UHFFFAOYSA-N
XLogP3.54
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone
CID 142200499
4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 82471218
bis(2,3-dimethylpyridine);ethane
CID 159594018
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
CID 119078369
CID 119078369
2,3-dimethyl-4-pyridin-2-ylbenzoic acid
CID 175747160
2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid
CID 53222591
bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
CID 166063488
2-(2-phenyl-1,3-oxazol-4-yl)pyridine-3-carboxylic acid
CID 67540195
[3-(2-methylbenzoyl)oxy-2-pyridin-2-ylphenyl] 2-methylbenzoate
CID 46187632

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium?
The IUPAC name of 2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium (CID 175593877) is 2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium.
What is the SMILES notation for 2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium?
The canonical SMILES for 2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium is Cc1cccnc1C.O=C(O)c1cccnc1-c1ccccn1.[Ru].
What is the InChIKey of 2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium?
The InChIKey is OYOACVAVVARMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2.C7H9N.Ru/c14-11(15)8-4-3-7-13-10(8)9-5-1-2-6-12-9;1-6-4-3-5-8-7(6)2;/h1-7H,(H,14,15);3-5H,1-2H3;.
What are the key properties of 2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium?
2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium has a molecular weight of 408.42 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyridine;2-pyridin-2-ylpyridine-3-carboxylic acid;ruthenium is sourced from PubChem (CID 175593877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).