2H-pyridin-2-ide-5-carboxylic acid;vanadium

C6H4NO2V- — CID 58764342

IUPAC2H-pyridin-2-ide-5-carboxylic acid;vanadium
SMILESO=C(O)c1cc[c-]nc1.[V]
InChIInChI=1S/C6H4NO2.V/c8-6(9)5-2-1-3-7-4-5;/h1-2,4H,(H,8,9);/q-1;
InChIKeySLBQJBUGDABIFD-UHFFFAOYSA-N
MW173.05 g/mol
LogP0.58
Rot. Bonds1

About 2H-pyridin-2-ide-5-carboxylic acid;vanadium

2H-pyridin-2-ide-5-carboxylic acid;vanadium (PubChem CID 58764342) has the molecular formula C6H4NO2V- and a molecular weight of 173.05 g/mol. Its IUPAC name is 2H-pyridin-2-ide-5-carboxylic acid;vanadium.

Molecular Properties

Compound Name2H-pyridin-2-ide-5-carboxylic acid;vanadium
PubChem CID58764342
Molecular FormulaC6H4NO2V-
Molecular Weight173.05 g/mol
Exact Mass172.97
IUPAC Name2H-pyridin-2-ide-5-carboxylic acid;vanadium
SMILESO=C(O)c1cc[c-]nc1.[V]
InChIInChI=1S/C6H4NO2.V/c8-6(9)5-2-1-3-7-4-5;/h1-2,4H,(H,8,9);/q-1;
InChIKeySLBQJBUGDABIFD-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 ≤ 500173.05
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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Frequently Asked Questions

What is the IUPAC name of 2H-pyridin-2-ide-5-carboxylic acid;vanadium?
The IUPAC name of 2H-pyridin-2-ide-5-carboxylic acid;vanadium (CID 58764342) is 2H-pyridin-2-ide-5-carboxylic acid;vanadium.
What is the SMILES notation for 2H-pyridin-2-ide-5-carboxylic acid;vanadium?
The canonical SMILES for 2H-pyridin-2-ide-5-carboxylic acid;vanadium is O=C(O)c1cc[c-]nc1.[V].
What is the InChIKey of 2H-pyridin-2-ide-5-carboxylic acid;vanadium?
The InChIKey is SLBQJBUGDABIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4NO2.V/c8-6(9)5-2-1-3-7-4-5;/h1-2,4H,(H,8,9);/q-1;.
What are the key properties of 2H-pyridin-2-ide-5-carboxylic acid;vanadium?
2H-pyridin-2-ide-5-carboxylic acid;vanadium has a molecular weight of 173.05 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 2H-pyridin-2-ide-5-carboxylic acid;vanadium is sourced from PubChem (CID 58764342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).