aluminum tris(pyridine-3-carboxylate)

C18H12AlN3O6 — CID 16098

IUPACaluminum tris(pyridine-3-carboxylate)
SMILESO=C([O-])c1cccnc1.O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Al+3]
InChIInChI=1S/3C6H5NO2.Al/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
InChIKeyNSFYKDVWNTWJOK-UHFFFAOYSA-K
MW393.29 g/mol
LogP-2.05
Rot. Bonds3

About aluminum tris(pyridine-3-carboxylate)

aluminum tris(pyridine-3-carboxylate) (PubChem CID 16098) has the molecular formula C18H12AlN3O6 and a molecular weight of 393.29 g/mol. Its IUPAC name is aluminum tris(pyridine-3-carboxylate).

Molecular Properties

Compound Namealuminum tris(pyridine-3-carboxylate)
PubChem CID16098
Molecular FormulaC18H12AlN3O6
Molecular Weight393.29 g/mol
Exact Mass393.05
IUPAC Namealuminum tris(pyridine-3-carboxylate)
SMILESO=C([O-])c1cccnc1.O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Al+3]
InChIInChI=1S/3C6H5NO2.Al/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3
InChIKeyNSFYKDVWNTWJOK-UHFFFAOYSA-K
XLogP-2.05
TPSA159.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 5-2.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Nicotinic Acid
CID 938
Trigonelline
CID 5570
Methyl Nicotinate
CID 7151
Ethyl Nicotinate
CID 69188
Niceritrol
CID 4476
6,6'-Dithiodinicotinic acid
CID 85040
Butyl nicotinate
CID 81353
Nicotinate
CID 937
Niacin sodium
CID 23687810
2-Fluoronicotinic acid
CID 96089
Chromium nicotinate
CID 9909912
3-Pyridinecarboxylic acid, hydrochloride (1:1)
CID 71558

Frequently Asked Questions

What is the IUPAC name of aluminum tris(pyridine-3-carboxylate)?
The IUPAC name of aluminum tris(pyridine-3-carboxylate) (CID 16098) is aluminum tris(pyridine-3-carboxylate).
What is the SMILES notation for aluminum tris(pyridine-3-carboxylate)?
The canonical SMILES for aluminum tris(pyridine-3-carboxylate) is O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.O=C([O-])c1cccnc1.[Al+3].
What is the InChIKey of aluminum tris(pyridine-3-carboxylate)?
The InChIKey is NSFYKDVWNTWJOK-UHFFFAOYSA-K. The full InChI is InChI=1S/3C6H5NO2.Al/c3*8-6(9)5-2-1-3-7-4-5;/h3*1-4H,(H,8,9);/q;;;+3/p-3.
What are the key properties of aluminum tris(pyridine-3-carboxylate)?
aluminum tris(pyridine-3-carboxylate) has a molecular weight of 393.29 g/mol, XLogP of -2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(pyridine-3-carboxylate) is sourced from PubChem (CID 16098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).