pentakis(3-aminopyridine-2-carboxylic acid);tantalum

C30H30N10O10Ta — CID 155295041

IUPACpentakis(3-aminopyridine-2-carboxylic acid);tantalum
SMILESNc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.[Ta]
InChIInChI=1S/5C6H6N2O2.Ta/c5*7-4-2-1-3-8-5(4)6(9)10;/h5*1-3H,7H2,(H,9,10);
InChIKeyKNNCQSMDFOZSAP-UHFFFAOYSA-N
MW871.58 g/mol
LogP1.81
Rot. Bonds5

About pentakis(3-aminopyridine-2-carboxylic acid);tantalum

pentakis(3-aminopyridine-2-carboxylic acid);tantalum (PubChem CID 155295041) has the molecular formula C30H30N10O10Ta and a molecular weight of 871.58 g/mol. Its IUPAC name is pentakis(3-aminopyridine-2-carboxylic acid);tantalum.

Molecular Properties

Compound Namepentakis(3-aminopyridine-2-carboxylic acid);tantalum
PubChem CID155295041
Molecular FormulaC30H30N10O10Ta
Molecular Weight871.58 g/mol
Exact Mass871.16
IUPAC Namepentakis(3-aminopyridine-2-carboxylic acid);tantalum
SMILESNc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.[Ta]
InChIInChI=1S/5C6H6N2O2.Ta/c5*7-4-2-1-3-8-5(4)6(9)10;/h5*1-3H,7H2,(H,9,10);
InChIKeyKNNCQSMDFOZSAP-UHFFFAOYSA-N
XLogP1.81
TPSA381.05 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500871.58
LogP ≤ 51.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

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Related Compounds

3-(Piperidin-1-yl)picolinic acid
CID 18525731
o-Carboxyphenylaminopyridine
CID 14222096
3-(Carboxymethylamino)pyridine-2-carboxylic acid
CID 89216773
Vanadium picolinate
CID 129717522
Chromium;tris(pyridine-2-carboxylic acid);hydrate
CID 129865579
3-Amino-6-(5-fluoro-2-pyridinyl)pyridine-2-carboxylic acid
CID 68161717
3-Amino-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxylic acid
CID 68162971
3-Amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
CID 140591031
3-Amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
CID 140591032
5-Carboxy-3-(pyridin-1-ium-2-yl)-6-(pyridin-2-yl)pyrazine-2-carboxylate
CID 123255486
Calcium-dipicolinat-sesquihydrat
CID 129655071
Chromium chromium picolinate
CID 129712025

Frequently Asked Questions

What is the IUPAC name of pentakis(3-aminopyridine-2-carboxylic acid);tantalum?
The IUPAC name of pentakis(3-aminopyridine-2-carboxylic acid);tantalum (CID 155295041) is pentakis(3-aminopyridine-2-carboxylic acid);tantalum.
What is the SMILES notation for pentakis(3-aminopyridine-2-carboxylic acid);tantalum?
The canonical SMILES for pentakis(3-aminopyridine-2-carboxylic acid);tantalum is Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.Nc1cccnc1C(=O)O.[Ta].
What is the InChIKey of pentakis(3-aminopyridine-2-carboxylic acid);tantalum?
The InChIKey is KNNCQSMDFOZSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H6N2O2.Ta/c5*7-4-2-1-3-8-5(4)6(9)10;/h5*1-3H,7H2,(H,9,10);.
What are the key properties of pentakis(3-aminopyridine-2-carboxylic acid);tantalum?
pentakis(3-aminopyridine-2-carboxylic acid);tantalum has a molecular weight of 871.58 g/mol, XLogP of 1.81, 5 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(3-aminopyridine-2-carboxylic acid);tantalum is sourced from PubChem (CID 155295041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).