bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium

C12H10N2O8V- — CID 90488861

IUPACbis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium
SMILESO=C(O)c1ncccc1O.O=C(O)c1ncccc1O.O=[V][O-]
InChIInChI=1S/2C6H5NO3.2O.V/c2*8-4-2-1-3-7-5(4)6(9)10;;;/h2*1-3,8H,(H,9,10);;;/q;;;-1;
InChIKeyDUQTXODYOYERFR-UHFFFAOYSA-N
MW361.16 g/mol
LogP-0.34
Rot. Bonds2

About bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium

bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium (PubChem CID 90488861) has the molecular formula C12H10N2O8V- and a molecular weight of 361.16 g/mol. Its IUPAC name is bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium.

Molecular Properties

Compound Namebis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium
PubChem CID90488861
Molecular FormulaC12H10N2O8V-
Molecular Weight361.16 g/mol
Exact Mass360.99
IUPAC Namebis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium
SMILESO=C(O)c1ncccc1O.O=C(O)c1ncccc1O.O=[V][O-]
InChIInChI=1S/2C6H5NO3.2O.V/c2*8-4-2-1-3-7-5(4)6(9)10;;;/h2*1-3,8H,(H,9,10);;;/q;;;-1;
InChIKeyDUQTXODYOYERFR-UHFFFAOYSA-N
XLogP-0.34
TPSA180.97 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium?
The IUPAC name of bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium (CID 90488861) is bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium.
What is the SMILES notation for bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium?
The canonical SMILES for bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium is O=C(O)c1ncccc1O.O=C(O)c1ncccc1O.O=[V][O-].
What is the InChIKey of bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium?
The InChIKey is DUQTXODYOYERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5NO3.2O.V/c2*8-4-2-1-3-7-5(4)6(9)10;;;/h2*1-3,8H,(H,9,10);;;/q;;;-1;.
What are the key properties of bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium?
bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium has a molecular weight of 361.16 g/mol, XLogP of -0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxypyridine-2-carboxylic acid);oxido(oxo)vanadium is sourced from PubChem (CID 90488861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).