strontium pyridine-2,3-dicarboxylate

C7H3NO4Sr — CID 3071118

IUPACstrontium pyridine-2,3-dicarboxylate
SMILESO=C([O-])c1cccnc1C(=O)[O-].[Sr+2]
InChIInChI=1S/C7H5NO4.Sr/c9-6(10)4-2-1-3-8-5(4)7(11)12;/h1-3H,(H,9,10)(H,11,12);/q;+2/p-2
InChIKeyLXNNOUWKHMGNOK-UHFFFAOYSA-L
MW252.72 g/mol
LogP-2.57
Rot. Bonds2

About strontium pyridine-2,3-dicarboxylate

strontium pyridine-2,3-dicarboxylate (PubChem CID 3071118) has the molecular formula C7H3NO4Sr and a molecular weight of 252.72 g/mol. Its IUPAC name is strontium pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namestrontium pyridine-2,3-dicarboxylate
PubChem CID3071118
Molecular FormulaC7H3NO4Sr
Molecular Weight252.72 g/mol
Exact Mass252.91
IUPAC Namestrontium pyridine-2,3-dicarboxylate
SMILESO=C([O-])c1cccnc1C(=O)[O-].[Sr+2]
InChIInChI=1S/C7H5NO4.Sr/c9-6(10)4-2-1-3-8-5(4)7(11)12;/h1-3H,(H,9,10)(H,11,12);/q;+2/p-2
InChIKeyLXNNOUWKHMGNOK-UHFFFAOYSA-L
XLogP-2.57
TPSA93.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 5-2.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Quinolinic Acid
CID 1066
Trigonelline
CID 5570
Picolinic acid
CID 1018
Dipropyl isocinchomeronate
CID 8693
2,5-Pyridinedicarboxylic acid
CID 7493
2,4-Pyridinedicarboxylic acid
CID 10365
Nicotinate
CID 937
Niacin sodium
CID 23687810
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
5-Ethylquinolinic acid
CID 113606
2-Carboxy-3-pyridineacetic acid
CID 3080554
Furo[3,4-b]pyridine-5,7-dione
CID 69688

Frequently Asked Questions

What is the IUPAC name of strontium pyridine-2,3-dicarboxylate?
The IUPAC name of strontium pyridine-2,3-dicarboxylate (CID 3071118) is strontium pyridine-2,3-dicarboxylate.
What is the SMILES notation for strontium pyridine-2,3-dicarboxylate?
The canonical SMILES for strontium pyridine-2,3-dicarboxylate is O=C([O-])c1cccnc1C(=O)[O-].[Sr+2].
What is the InChIKey of strontium pyridine-2,3-dicarboxylate?
The InChIKey is LXNNOUWKHMGNOK-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H5NO4.Sr/c9-6(10)4-2-1-3-8-5(4)7(11)12;/h1-3H,(H,9,10)(H,11,12);/q;+2/p-2.
What are the key properties of strontium pyridine-2,3-dicarboxylate?
strontium pyridine-2,3-dicarboxylate has a molecular weight of 252.72 g/mol, XLogP of -2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for strontium pyridine-2,3-dicarboxylate is sourced from PubChem (CID 3071118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).