gadolinium;pyridine-2-carboxylic acid

C6H5GdNO2 — CID 175231422

IUPACgadolinium;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Gd]
InChIInChI=1S/C6H5NO2.Gd/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);
InChIKeyOKMJUKVUTCASEI-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.78
Rot. Bonds1

About gadolinium;pyridine-2-carboxylic acid

gadolinium;pyridine-2-carboxylic acid (PubChem CID 175231422) has the molecular formula C6H5GdNO2 and a molecular weight of 280.36 g/mol. Its IUPAC name is gadolinium;pyridine-2-carboxylic acid.

Molecular Properties

Compound Namegadolinium;pyridine-2-carboxylic acid
PubChem CID175231422
Molecular FormulaC6H5GdNO2
Molecular Weight280.36 g/mol
Exact Mass280.96
IUPAC Namegadolinium;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Gd]
InChIInChI=1S/C6H5NO2.Gd/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);
InChIKeyOKMJUKVUTCASEI-UHFFFAOYSA-N
XLogP0.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of gadolinium;pyridine-2-carboxylic acid?
The IUPAC name of gadolinium;pyridine-2-carboxylic acid (CID 175231422) is gadolinium;pyridine-2-carboxylic acid.
What is the SMILES notation for gadolinium;pyridine-2-carboxylic acid?
The canonical SMILES for gadolinium;pyridine-2-carboxylic acid is O=C(O)c1ccccn1.[Gd].
What is the InChIKey of gadolinium;pyridine-2-carboxylic acid?
The InChIKey is OKMJUKVUTCASEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.Gd/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);.
What are the key properties of gadolinium;pyridine-2-carboxylic acid?
gadolinium;pyridine-2-carboxylic acid has a molecular weight of 280.36 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gadolinium;pyridine-2-carboxylic acid is sourced from PubChem (CID 175231422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).