5-amino-2-chloro-3-iodobenzoic acid

C7H5ClINO2 — CID 131288926

IUPAC5-amino-2-chloro-3-iodobenzoic acid
SMILESNc1cc(I)c(Cl)c(C(=O)O)c1
InChIInChI=1S/C7H5ClINO2/c8-6-4(7(11)12)1-3(10)2-5(6)9/h1-2H,10H2,(H,11,12)
InChIKeyUUFBJQGXANQJQO-UHFFFAOYSA-N
MW297.48 g/mol
LogP2.22
Rot. Bonds1

About 5-amino-2-chloro-3-iodobenzoic acid

5-amino-2-chloro-3-iodobenzoic acid (PubChem CID 131288926) has the molecular formula C7H5ClINO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 5-amino-2-chloro-3-iodobenzoic acid.

Molecular Properties

Compound Name5-amino-2-chloro-3-iodobenzoic acid
PubChem CID131288926
Molecular FormulaC7H5ClINO2
Molecular Weight297.48 g/mol
Exact Mass296.91
IUPAC Name5-amino-2-chloro-3-iodobenzoic acid
SMILESNc1cc(I)c(Cl)c(C(=O)O)c1
InChIInChI=1S/C7H5ClINO2/c8-6-4(7(11)12)1-3(10)2-5(6)9/h1-2H,10H2,(H,11,12)
InChIKeyUUFBJQGXANQJQO-UHFFFAOYSA-N
XLogP2.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-diiodobenzoic acid
CID 131091000
5-amino-2-chloro-3-(trifluoromethyl)benzoic acid
CID 134413268
2-amino-4,5-diiodobenzoic acid
CID 20534143
2-amino-5-chloro-3-iodobenzoic acid
CID 53441656
4-amino-2,6-diiodobenzoyl chloride
CID 88847643
2,3,5-triaminobenzoic acid
CID 18407375
4-amino-2-bromo-6-iodobenzoic acid
CID 166642106
2-chlorobenzene-1,3,5-tricarboxylic acid
CID 70547954
4-amino-2,5-diiodobenzoic acid
CID 130968177
2,4,5-triiodobenzoic acid
CID 4693340
5-bromo-4,6-dichlorobenzene-1,3-dicarboxylic acid
CID 21417330
5-amino-2,3-dichlorobenzamide
CID 107183127

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-3-iodobenzoic acid?
The IUPAC name of 5-amino-2-chloro-3-iodobenzoic acid (CID 131288926) is 5-amino-2-chloro-3-iodobenzoic acid.
What is the SMILES notation for 5-amino-2-chloro-3-iodobenzoic acid?
The canonical SMILES for 5-amino-2-chloro-3-iodobenzoic acid is Nc1cc(I)c(Cl)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-chloro-3-iodobenzoic acid?
The InChIKey is UUFBJQGXANQJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClINO2/c8-6-4(7(11)12)1-3(10)2-5(6)9/h1-2H,10H2,(H,11,12).
What are the key properties of 5-amino-2-chloro-3-iodobenzoic acid?
5-amino-2-chloro-3-iodobenzoic acid has a molecular weight of 297.48 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-3-iodobenzoic acid is sourced from PubChem (CID 131288926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).