hafnium;pyridine-2-carboxylic acid

C6H5HfNO2 — CID 175130925

IUPAChafnium;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Hf]
InChIInChI=1S/C6H5NO2.Hf/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);
InChIKeyISOWLARKGSHQDF-UHFFFAOYSA-N
MW301.60 g/mol
LogP0.78
Rot. Bonds1

About hafnium;pyridine-2-carboxylic acid

hafnium;pyridine-2-carboxylic acid (PubChem CID 175130925) has the molecular formula C6H5HfNO2 and a molecular weight of 301.60 g/mol. Its IUPAC name is hafnium;pyridine-2-carboxylic acid.

Molecular Properties

Compound Namehafnium;pyridine-2-carboxylic acid
PubChem CID175130925
Molecular FormulaC6H5HfNO2
Molecular Weight301.60 g/mol
Exact Mass302.98
IUPAC Namehafnium;pyridine-2-carboxylic acid
SMILESO=C(O)c1ccccn1.[Hf]
InChIInChI=1S/C6H5NO2.Hf/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);
InChIKeyISOWLARKGSHQDF-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 ≤ 500301.60
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hafnium;pyridine-2-carboxylic acid?
The IUPAC name of hafnium;pyridine-2-carboxylic acid (CID 175130925) is hafnium;pyridine-2-carboxylic acid.
What is the SMILES notation for hafnium;pyridine-2-carboxylic acid?
The canonical SMILES for hafnium;pyridine-2-carboxylic acid is O=C(O)c1ccccn1.[Hf].
What is the InChIKey of hafnium;pyridine-2-carboxylic acid?
The InChIKey is ISOWLARKGSHQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.Hf/c8-6(9)5-3-1-2-4-7-5;/h1-4H,(H,8,9);.
What are the key properties of hafnium;pyridine-2-carboxylic acid?
hafnium;pyridine-2-carboxylic acid has a molecular weight of 301.60 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 hafnium;pyridine-2-carboxylic acid is sourced from PubChem (CID 175130925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).