2-carboxy-4,5-dimethoxybenzenediazonium chloride

C9H9ClN2O4 — CID 13163159

IUPAC2-carboxy-4,5-dimethoxybenzenediazonium chloride
SMILESCOc1cc([N+]#N)c(C(=O)O)cc1OC.[Cl-]
InChIInChI=1S/C9H8N2O4.ClH/c1-14-7-3-5(9(12)13)6(11-10)4-8(7)15-2;/h3-4H,1-2H3;1H
InChIKeyOUHXVHPYFQAMHY-UHFFFAOYSA-N
MW244.63 g/mol
LogP-1.11
Rot. Bonds3

About 2-carboxy-4,5-dimethoxybenzenediazonium chloride

2-carboxy-4,5-dimethoxybenzenediazonium chloride (PubChem CID 13163159) has the molecular formula C9H9ClN2O4 and a molecular weight of 244.63 g/mol. Its IUPAC name is 2-carboxy-4,5-dimethoxybenzenediazonium chloride.

Molecular Properties

Compound Name2-carboxy-4,5-dimethoxybenzenediazonium chloride
PubChem CID13163159
Molecular FormulaC9H9ClN2O4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Name2-carboxy-4,5-dimethoxybenzenediazonium chloride
SMILESCOc1cc([N+]#N)c(C(=O)O)cc1OC.[Cl-]
InChIInChI=1S/C9H8N2O4.ClH/c1-14-7-3-5(9(12)13)6(11-10)4-8(7)15-2;/h3-4H,1-2H3;1H
InChIKeyOUHXVHPYFQAMHY-UHFFFAOYSA-N
XLogP-1.11
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 5-1.11
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

2-carboxy-4,5-dimethoxyphenolate
CID 86306376
4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
2-amino-4-methoxy-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 43380092
2-carbamoyl-5-methoxybenzenediazonium chloride
CID 18991222
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride
CID 170985236
2-(3,5-dimethoxyphenoxy)-4,5-dimethoxybenzoic acid
CID 141247390
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid
CID 84703270
2-carboxy-4-hydroxybenzenediazonium
CID 86186589
2-amino-4,5-bis(trideuteriomethoxy)benzoic acid
CID 59662843

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-4,5-dimethoxybenzenediazonium chloride?
The IUPAC name of 2-carboxy-4,5-dimethoxybenzenediazonium chloride (CID 13163159) is 2-carboxy-4,5-dimethoxybenzenediazonium chloride.
What is the SMILES notation for 2-carboxy-4,5-dimethoxybenzenediazonium chloride?
The canonical SMILES for 2-carboxy-4,5-dimethoxybenzenediazonium chloride is COc1cc([N+]#N)c(C(=O)O)cc1OC.[Cl-].
What is the InChIKey of 2-carboxy-4,5-dimethoxybenzenediazonium chloride?
The InChIKey is OUHXVHPYFQAMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4.ClH/c1-14-7-3-5(9(12)13)6(11-10)4-8(7)15-2;/h3-4H,1-2H3;1H.
What are the key properties of 2-carboxy-4,5-dimethoxybenzenediazonium chloride?
2-carboxy-4,5-dimethoxybenzenediazonium chloride has a molecular weight of 244.63 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-4,5-dimethoxybenzenediazonium chloride is sourced from PubChem (CID 13163159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).