tetrakis(3-aminopyridine-2-carboxylic acid);titanium

C24H24N8O8Ti — CID 155295017

IUPACtetrakis(3-aminopyridine-2-carboxylic acid);titanium
SMILESNc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.[Ti]
InChIInChI=1S/4C6H6N2O2.Ti/c4*7-4-2-1-3-8-5(4)6(9)10;/h4*1-3H,7H2,(H,9,10);
InChIKeyASUAKXJBMGDHGV-UHFFFAOYSA-N
MW600.37 g/mol
LogP1.45
Rot. Bonds4

About tetrakis(3-aminopyridine-2-carboxylic acid);titanium

tetrakis(3-aminopyridine-2-carboxylic acid);titanium (PubChem CID 155295017) has the molecular formula C24H24N8O8Ti and a molecular weight of 600.37 g/mol. Its IUPAC name is tetrakis(3-aminopyridine-2-carboxylic acid);titanium.

Molecular Properties

Compound Nametetrakis(3-aminopyridine-2-carboxylic acid);titanium
PubChem CID155295017
Molecular FormulaC24H24N8O8Ti
Molecular Weight600.37 g/mol
Exact Mass600.12
IUPAC Nametetrakis(3-aminopyridine-2-carboxylic acid);titanium
SMILESNc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.[Ti]
InChIInChI=1S/4C6H6N2O2.Ti/c4*7-4-2-1-3-8-5(4)6(9)10;/h4*1-3H,7H2,(H,9,10);
InChIKeyASUAKXJBMGDHGV-UHFFFAOYSA-N
XLogP1.45
TPSA304.84 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500600.37
LogP ≤ 51.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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Related Compounds

3-Aminopicolinic acid
CID 73836
3-Carboxy-5-(2-pyridinio)-6-(2-pyridyl)pyrazine-2-carboxylate
CID 397377
3-(Piperidin-1-yl)picolinic acid
CID 18525731
Chromium-picolinate
CID 625469
6-(6-Pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylic acid
CID 90938789
o-Carboxyphenylaminopyridine
CID 14222096
3-[Bis(2-carboxy-6-methyl-3-pyridinyl)amino]-6-methylpyridine-2-carboxylic acid
CID 67548110
3-(Carboxymethylamino)pyridine-2-carboxylic acid
CID 89216773
Vanadium picolinate
CID 129717522
Iridium(III) picolinate
CID 129737356
Chromium;tris(pyridine-2-carboxylic acid);hydrate
CID 129865579
3-Amino-5-fluoro-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxylic acid
CID 68161560

Frequently Asked Questions

What is the IUPAC name of tetrakis(3-aminopyridine-2-carboxylic acid);titanium?
The IUPAC name of tetrakis(3-aminopyridine-2-carboxylic acid);titanium (CID 155295017) is tetrakis(3-aminopyridine-2-carboxylic acid);titanium.
What is the SMILES notation for tetrakis(3-aminopyridine-2-carboxylic acid);titanium?
The canonical SMILES for tetrakis(3-aminopyridine-2-carboxylic acid);titanium is Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.[Ti].
What is the InChIKey of tetrakis(3-aminopyridine-2-carboxylic acid);titanium?
The InChIKey is ASUAKXJBMGDHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H6N2O2.Ti/c4*7-4-2-1-3-8-5(4)6(9)10;/h4*1-3H,7H2,(H,9,10);.
What are the key properties of tetrakis(3-aminopyridine-2-carboxylic acid);titanium?
tetrakis(3-aminopyridine-2-carboxylic acid);titanium has a molecular weight of 600.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-aminopyridine-2-carboxylic acid);titanium is sourced from PubChem (CID 155295017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).