2-amino-6-iodobenzoic acid

C7H6INO2 — CID 12761007

IUPAC2-amino-6-iodobenzoic acid
SMILESNc1cccc(I)c1C(=O)O
InChIInChI=1S/C7H6INO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKeyPSQOLYZSEHSFLC-UHFFFAOYSA-N
MW263.03 g/mol
LogP1.57
Rot. Bonds1

About 2-amino-6-iodobenzoic acid

2-amino-6-iodobenzoic acid (PubChem CID 12761007) has the molecular formula C7H6INO2 and a molecular weight of 263.03 g/mol. Its IUPAC name is 2-amino-6-iodobenzoic acid.

Molecular Properties

Compound Name2-amino-6-iodobenzoic acid
PubChem CID12761007
Molecular FormulaC7H6INO2
Molecular Weight263.03 g/mol
Exact Mass262.94
IUPAC Name2-amino-6-iodobenzoic acid
SMILESNc1cccc(I)c1C(=O)O
InChIInChI=1S/C7H6INO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKeyPSQOLYZSEHSFLC-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

2-amino-6-bromobenzoic acid
CID 10560649
2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid
CID 67351270
3-amino-2-carboxybenzoate
CID 58908240
3-amino-2-iodobenzoic acid
CID 22266658
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
acetic acid;2-amino-6-chlorobenzoic acid
CID 175066849
2-amino-6-[(2,4,6-triiodophenoxy)methyl]benzoic acid
CID 104825421
2-amino-6-(trifluoromethyl)benzoic acid;trihydrate
CID 44784805
2-amino-3-hydroxy-6-iodobenzoic acid
CID 130140335
2-amino-6-anilinobenzoic acid
CID 67684436
2-iodo-6-phenoxybenzoic acid
CID 139966933
2-amino-6-(1-chloroethyl)benzoic acid
CID 19612043

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-iodobenzoic acid?
The IUPAC name of 2-amino-6-iodobenzoic acid (CID 12761007) is 2-amino-6-iodobenzoic acid.
What is the SMILES notation for 2-amino-6-iodobenzoic acid?
The canonical SMILES for 2-amino-6-iodobenzoic acid is Nc1cccc(I)c1C(=O)O.
What is the InChIKey of 2-amino-6-iodobenzoic acid?
The InChIKey is PSQOLYZSEHSFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11).
What are the key properties of 2-amino-6-iodobenzoic acid?
2-amino-6-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 2-amino-6-iodobenzoic acid is sourced from PubChem (CID 12761007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).