3-amino-2-iodobenzoic acid

C7H6INO2 — CID 22266658

IUPAC3-amino-2-iodobenzoic acid
SMILESNc1cccc(C(=O)O)c1I
InChIInChI=1S/C7H6INO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11)
InChIKeyHEVQSUKLJWYDJR-UHFFFAOYSA-N
MW263.03 g/mol
LogP1.57
Rot. Bonds1

About 3-amino-2-iodobenzoic acid

3-amino-2-iodobenzoic acid (PubChem CID 22266658) has the molecular formula C7H6INO2 and a molecular weight of 263.03 g/mol. Its IUPAC name is 3-amino-2-iodobenzoic acid.

Molecular Properties

Compound Name3-amino-2-iodobenzoic acid
PubChem CID22266658
Molecular FormulaC7H6INO2
Molecular Weight263.03 g/mol
Exact Mass262.94
IUPAC Name3-amino-2-iodobenzoic acid
SMILESNc1cccc(C(=O)O)c1I
InChIInChI=1S/C7H6INO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11)
InChIKeyHEVQSUKLJWYDJR-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.03
LogP ≤ 51.57
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

3-amino-2-iodobenzamide
CID 70101113
2-iodobenzene-1,3-dicarboxylic acid;dihydrochloride
CID 174964357
CID 172796646
CID 172796646
bis(2-aminobenzoic acid);nickel
CID 73156847
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;hydrate
CID 70144361
2-aminobenzoic acid;urea
CID 158027537
3-amino-2-[2-(2-amino-6-carboxyphenyl)ethyl]benzoic acid
CID 154093192
2-aminobenzene-1,3-dicarboxylic acid;cobalt
CID 174944347
2-aminobenzoic acid;carbamic acid;hydrochloride
CID 67293810
3-amino-2-aminooxybenzoic acid
CID 54335840
3-formyl-2-iodobenzoic acid
CID 71422161

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-iodobenzoic acid?
The IUPAC name of 3-amino-2-iodobenzoic acid (CID 22266658) is 3-amino-2-iodobenzoic acid.
What is the SMILES notation for 3-amino-2-iodobenzoic acid?
The canonical SMILES for 3-amino-2-iodobenzoic acid is Nc1cccc(C(=O)O)c1I.
What is the InChIKey of 3-amino-2-iodobenzoic acid?
The InChIKey is HEVQSUKLJWYDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11).
What are the key properties of 3-amino-2-iodobenzoic acid?
3-amino-2-iodobenzoic acid has a molecular weight of 263.03 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-iodobenzoic acid is sourced from PubChem (CID 22266658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).