bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt

C28H22CoN2O8 — CID 176549318

IUPACbis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt
SMILESCc1ccc(-c2ccc(C(=O)O)cn2)cc1C(=O)O.Cc1ccc(-c2ccc(C(=O)O)cn2)cc1C(=O)O.[Co]
InChIInChI=1S/2C14H11NO4.Co/c2*1-8-2-3-9(6-11(8)14(18)19)12-5-4-10(7-15-12)13(16)17;/h2*2-7H,1H3,(H,16,17)(H,18,19);
InChIKeyGSMQGOVNOKSXJC-UHFFFAOYSA-N
MW573.42 g/mol
LogP4.90
Rot. Bonds6

About bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt

bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt (PubChem CID 176549318) has the molecular formula C28H22CoN2O8 and a molecular weight of 573.42 g/mol. Its IUPAC name is bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt.

Molecular Properties

Compound Namebis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt
PubChem CID176549318
Molecular FormulaC28H22CoN2O8
Molecular Weight573.42 g/mol
Exact Mass573.07
IUPAC Namebis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt
SMILESCc1ccc(-c2ccc(C(=O)O)cn2)cc1C(=O)O.Cc1ccc(-c2ccc(C(=O)O)cn2)cc1C(=O)O.[Co]
InChIInChI=1S/2C14H11NO4.Co/c2*1-8-2-3-9(6-11(8)14(18)19)12-5-4-10(7-15-12)13(16)17;/h2*2-7H,1H3,(H,16,17)(H,18,19);
InChIKeyGSMQGOVNOKSXJC-UHFFFAOYSA-N
XLogP4.90
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.42
LogP ≤ 54.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088
6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223511
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
6-[5-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-5-[6-(5-carboxy-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 155051677
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186
6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880
6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 24729990
6-(3-chlorophenyl)pyridine-3-carboxylic acid
CID 24729969
2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 170993673
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
2-methyl-5-(thiadiazol-4-yl)benzoic acid
CID 174257420
cyclohexane;4-methylbenzene-1,3-dicarboxylic acid
CID 174566305

Frequently Asked Questions

What is the IUPAC name of bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt?
The IUPAC name of bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt (CID 176549318) is bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt.
What is the SMILES notation for bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt?
The canonical SMILES for bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt is Cc1ccc(-c2ccc(C(=O)O)cn2)cc1C(=O)O.Cc1ccc(-c2ccc(C(=O)O)cn2)cc1C(=O)O.[Co].
What is the InChIKey of bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt?
The InChIKey is GSMQGOVNOKSXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11NO4.Co/c2*1-8-2-3-9(6-11(8)14(18)19)12-5-4-10(7-15-12)13(16)17;/h2*2-7H,1H3,(H,16,17)(H,18,19);.
What are the key properties of bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt?
bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt has a molecular weight of 573.42 g/mol, XLogP of 4.90, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt is sourced from PubChem (CID 176549318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).