6-carboxy-2-diazonio-3-methoxyphenolate

C8H6N2O4 — CID 54704722

IUPAC6-carboxy-2-diazonio-3-methoxyphenolate
SMILESCOc1ccc(C(=O)O)c([O-])c1[N+]#N
InChIInChI=1S/C8H6N2O4/c1-14-5-3-2-4(8(12)13)7(11)6(5)10-9/h2-3H,1H3,(H-,11,12,13)
InChIKeyIGWQRYHQYGPQLO-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.95
Rot. Bonds2

About 6-carboxy-2-diazonio-3-methoxyphenolate

6-carboxy-2-diazonio-3-methoxyphenolate (PubChem CID 54704722) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 6-carboxy-2-diazonio-3-methoxyphenolate.

Molecular Properties

Compound Name6-carboxy-2-diazonio-3-methoxyphenolate
PubChem CID54704722
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name6-carboxy-2-diazonio-3-methoxyphenolate
SMILESCOc1ccc(C(=O)O)c([O-])c1[N+]#N
InChIInChI=1S/C8H6N2O4/c1-14-5-3-2-4(8(12)13)7(11)6(5)10-9/h2-3H,1H3,(H-,11,12,13)
InChIKeyIGWQRYHQYGPQLO-UHFFFAOYSA-N
XLogP0.95
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-3-nitrobenzoic acid
CID 66640
3-Amino-4-methoxybenzoic acid
CID 17823
2,6-Dimethoxy-3-nitrobenzoic acid
CID 3085094
3-Amino-2-methoxybenzoic acid
CID 19849158
2-Hydroxy-5-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)diazenyl]benzoic acid
CID 164627530
1-(2-Hydroxy-4-methoxy-5-nitrophenyl)ethan-1-one
CID 2775150
3-Amino-2-hydroxy-4-methoxybenzoate
CID 54719036
3-Amino-2,4-dihydroxybenzoate
CID 152754777
8-Amino-7-hydroxy-4-oxochromene-2-carboxamide
CID 90673441
Pyramidamycin C
CID 71482612
Pyramidamycin D
CID 71482754
3-Amino-2-hydroxy-4-methoxybenzoic acid
CID 22663354

Frequently Asked Questions

What is the IUPAC name of 6-carboxy-2-diazonio-3-methoxyphenolate?
The IUPAC name of 6-carboxy-2-diazonio-3-methoxyphenolate (CID 54704722) is 6-carboxy-2-diazonio-3-methoxyphenolate.
What is the SMILES notation for 6-carboxy-2-diazonio-3-methoxyphenolate?
The canonical SMILES for 6-carboxy-2-diazonio-3-methoxyphenolate is COc1ccc(C(=O)O)c([O-])c1[N+]#N.
What is the InChIKey of 6-carboxy-2-diazonio-3-methoxyphenolate?
The InChIKey is IGWQRYHQYGPQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c1-14-5-3-2-4(8(12)13)7(11)6(5)10-9/h2-3H,1H3,(H-,11,12,13).
What are the key properties of 6-carboxy-2-diazonio-3-methoxyphenolate?
6-carboxy-2-diazonio-3-methoxyphenolate has a molecular weight of 194.15 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carboxy-2-diazonio-3-methoxyphenolate is sourced from PubChem (CID 54704722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).