2-aminobenzene-1,3-dicarboxylic acid;cobalt

C8H7CoNO4 — CID 174944347

IUPAC2-aminobenzene-1,3-dicarboxylic acid;cobalt
SMILESNc1c(C(=O)O)cccc1C(=O)O.[Co]
InChIInChI=1S/C8H7NO4.Co/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);
InChIKeyFOXBOVOQEUKCHC-UHFFFAOYSA-N
MW240.08 g/mol
LogP0.66
Rot. Bonds2

About 2-aminobenzene-1,3-dicarboxylic acid;cobalt

2-aminobenzene-1,3-dicarboxylic acid;cobalt (PubChem CID 174944347) has the molecular formula C8H7CoNO4 and a molecular weight of 240.08 g/mol. Its IUPAC name is 2-aminobenzene-1,3-dicarboxylic acid;cobalt.

Molecular Properties

Compound Name2-aminobenzene-1,3-dicarboxylic acid;cobalt
PubChem CID174944347
Molecular FormulaC8H7CoNO4
Molecular Weight240.08 g/mol
Exact Mass239.97
IUPAC Name2-aminobenzene-1,3-dicarboxylic acid;cobalt
SMILESNc1c(C(=O)O)cccc1C(=O)O.[Co]
InChIInChI=1S/C8H7NO4.Co/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);
InChIKeyFOXBOVOQEUKCHC-UHFFFAOYSA-N
XLogP0.66
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-methoxycarbonylbenzoic acid
CID 2794812
2-amino-3-methylbenzoic acid;azane
CID 69400013
2-amino-3-(3-oxobutanoyl)benzoic acid
CID 154106250
2-amino-3-(dichloromethyl)benzoic acid
CID 19064080
2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid
CID 67694082
2-amino-3-(thiophene-3-carbonyl)benzoic acid
CID 70497856
2-amino-3-[(3R)-3-aminobutanoyl]benzoic acid
CID 23405622
2-amino-3-(2,6-dimethylphenyl)benzoic acid
CID 70207656
2-amino-3-phenylsulfanylbenzoic acid
CID 115547407
2-amino-3-(3-hydroxypropyl)benzoic acid
CID 121470801
2-amino-3-(2-phenylethynyl)benzoic acid
CID 79400751
CID 172796646
CID 172796646

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzene-1,3-dicarboxylic acid;cobalt?
The IUPAC name of 2-aminobenzene-1,3-dicarboxylic acid;cobalt (CID 174944347) is 2-aminobenzene-1,3-dicarboxylic acid;cobalt.
What is the SMILES notation for 2-aminobenzene-1,3-dicarboxylic acid;cobalt?
The canonical SMILES for 2-aminobenzene-1,3-dicarboxylic acid;cobalt is Nc1c(C(=O)O)cccc1C(=O)O.[Co].
What is the InChIKey of 2-aminobenzene-1,3-dicarboxylic acid;cobalt?
The InChIKey is FOXBOVOQEUKCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4.Co/c9-6-4(7(10)11)2-1-3-5(6)8(12)13;/h1-3H,9H2,(H,10,11)(H,12,13);.
What are the key properties of 2-aminobenzene-1,3-dicarboxylic acid;cobalt?
2-aminobenzene-1,3-dicarboxylic acid;cobalt has a molecular weight of 240.08 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzene-1,3-dicarboxylic acid;cobalt is sourced from PubChem (CID 174944347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).