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

C7H5ClINO2 — CID 53441656

IUPAC2-amino-5-chloro-3-iodobenzoic acid
SMILESNc1c(I)cc(Cl)cc1C(=O)O
InChIInChI=1S/C7H5ClINO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKeyVJRDUSOUTARJDM-UHFFFAOYSA-N
MW297.48 g/mol
LogP2.22
Rot. Bonds1

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

2-amino-5-chloro-3-iodobenzoic acid (PubChem CID 53441656) has the molecular formula C7H5ClINO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-amino-5-chloro-3-iodobenzoic acid.

Molecular Properties

Compound Name2-amino-5-chloro-3-iodobenzoic acid
PubChem CID53441656
Molecular FormulaC7H5ClINO2
Molecular Weight297.48 g/mol
Exact Mass296.91
IUPAC Name2-amino-5-chloro-3-iodobenzoic acid
SMILESNc1c(I)cc(Cl)cc1C(=O)O
InChIInChI=1S/C7H5ClINO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)
InChIKeyVJRDUSOUTARJDM-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-chloro-3-iodo-2-methylbenzoic acid
CID 82883475
2-amino-5-chloro-3-cyanobenzoic acid
CID 72545064
2-amino-3-tert-butyl-5-chlorobenzoic acid
CID 142738161
2-amino-5-chloro-3-(2-fluoroethyl)benzoic acid
CID 174573220
2-amino-3-(2-carboxyethenyl)-5-chlorobenzoic acid
CID 169460835
2-amino-4,5-diiodobenzoic acid
CID 20534143
2-amino-5-chloro-3-iodo-4-methylbenzoic acid
CID 87269500
5-chloro-3-fluoro-2-iodobenzoic acid
CID 171001878
5-amino-2-chloro-3-iodobenzoic acid
CID 131288926
5-chloro-3-iodo-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid
CID 167721321
4-amino-5-iodopyridine-3-carboxylic acid
CID 71055662
2-amino-4-chloro-3-iodo-5-(trifluoromethyl)benzoic acid
CID 156507428

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-iodobenzoic acid?
The IUPAC name of 2-amino-5-chloro-3-iodobenzoic acid (CID 53441656) is 2-amino-5-chloro-3-iodobenzoic acid.
What is the SMILES notation for 2-amino-5-chloro-3-iodobenzoic acid?
The canonical SMILES for 2-amino-5-chloro-3-iodobenzoic acid is Nc1c(I)cc(Cl)cc1C(=O)O.
What is the InChIKey of 2-amino-5-chloro-3-iodobenzoic acid?
The InChIKey is VJRDUSOUTARJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClINO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12).
What are the key properties of 2-amino-5-chloro-3-iodobenzoic acid?
2-amino-5-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 2-amino-5-chloro-3-iodobenzoic acid is sourced from PubChem (CID 53441656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).