3H-pyridin-3-ide-6-carboxylic acid;yttrium

C6H4NO2Y- — CID 59774757

IUPAC3H-pyridin-3-ide-6-carboxylic acid;yttrium
SMILESO=C(O)c1cc[c-]cn1.[Y]
InChIInChI=1S/C6H4NO2.Y/c8-6(9)5-3-1-2-4-7-5;/h1,3-4H,(H,8,9);/q-1;
InChIKeyGPMGBNHXUXIFMH-UHFFFAOYSA-N
MW211.01 g/mol
LogP0.58
Rot. Bonds1

About 3H-pyridin-3-ide-6-carboxylic acid;yttrium

3H-pyridin-3-ide-6-carboxylic acid;yttrium (PubChem CID 59774757) has the molecular formula C6H4NO2Y- and a molecular weight of 211.01 g/mol. Its IUPAC name is 3H-pyridin-3-ide-6-carboxylic acid;yttrium.

Molecular Properties

Compound Name3H-pyridin-3-ide-6-carboxylic acid;yttrium
PubChem CID59774757
Molecular FormulaC6H4NO2Y-
Molecular Weight211.01 g/mol
Exact Mass210.93
IUPAC Name3H-pyridin-3-ide-6-carboxylic acid;yttrium
SMILESO=C(O)c1cc[c-]cn1.[Y]
InChIInChI=1S/C6H4NO2.Y/c8-6(9)5-3-1-2-4-7-5;/h1,3-4H,(H,8,9);/q-1;
InChIKeyGPMGBNHXUXIFMH-UHFFFAOYSA-N
XLogP0.58
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.01
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(3H-pyridin-3-id-6-yl)ethanone;yttrium
CID 59774747
benzene;iridium;pyridine-2-carboxylic acid
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CID 175246691
CID 175246691
pyridine-2-carboxylic acid;tungsten
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CID 173156131
CID 173156131
hafnium;pyridine-2-carboxylic acid
CID 175130925
europium;pyridine-2-carboxylic acid
CID 174808227
5-hydroxypyridine-2-carboxylic acid;hydrate
CID 44607741
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763
5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid
CID 66277953

Frequently Asked Questions

What is the IUPAC name of 3H-pyridin-3-ide-6-carboxylic acid;yttrium?
The IUPAC name of 3H-pyridin-3-ide-6-carboxylic acid;yttrium (CID 59774757) is 3H-pyridin-3-ide-6-carboxylic acid;yttrium.
What is the SMILES notation for 3H-pyridin-3-ide-6-carboxylic acid;yttrium?
The canonical SMILES for 3H-pyridin-3-ide-6-carboxylic acid;yttrium is O=C(O)c1cc[c-]cn1.[Y].
What is the InChIKey of 3H-pyridin-3-ide-6-carboxylic acid;yttrium?
The InChIKey is GPMGBNHXUXIFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4NO2.Y/c8-6(9)5-3-1-2-4-7-5;/h1,3-4H,(H,8,9);/q-1;.
What are the key properties of 3H-pyridin-3-ide-6-carboxylic acid;yttrium?
3H-pyridin-3-ide-6-carboxylic acid;yttrium has a molecular weight of 211.01 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyridin-3-ide-6-carboxylic acid;yttrium is sourced from PubChem (CID 59774757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).