2-(dimethylamino)-5-iodobenzoic acid

C9H10INO2 — CID 66696571

IUPAC2-(dimethylamino)-5-iodobenzoic acid
SMILESCN(C)c1ccc(I)cc1C(=O)O
InChIInChI=1S/C9H10INO2/c1-11(2)8-4-3-6(10)5-7(8)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyRAYWEEAHFPENGA-UHFFFAOYSA-N
MW291.09 g/mol
LogP2.06
Rot. Bonds2

About 2-(dimethylamino)-5-iodobenzoic acid

2-(dimethylamino)-5-iodobenzoic acid (PubChem CID 66696571) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is 2-(dimethylamino)-5-iodobenzoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-5-iodobenzoic acid
PubChem CID66696571
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name2-(dimethylamino)-5-iodobenzoic acid
SMILESCN(C)c1ccc(I)cc1C(=O)O
InChIInChI=1S/C9H10INO2/c1-11(2)8-4-3-6(10)5-7(8)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyRAYWEEAHFPENGA-UHFFFAOYSA-N
XLogP2.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-iodobenzoic acid?
The IUPAC name of 2-(dimethylamino)-5-iodobenzoic acid (CID 66696571) is 2-(dimethylamino)-5-iodobenzoic acid.
What is the SMILES notation for 2-(dimethylamino)-5-iodobenzoic acid?
The canonical SMILES for 2-(dimethylamino)-5-iodobenzoic acid is CN(C)c1ccc(I)cc1C(=O)O.
What is the InChIKey of 2-(dimethylamino)-5-iodobenzoic acid?
The InChIKey is RAYWEEAHFPENGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c1-11(2)8-4-3-6(10)5-7(8)9(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-(dimethylamino)-5-iodobenzoic acid?
2-(dimethylamino)-5-iodobenzoic acid has a molecular weight of 291.09 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-iodobenzoic acid is sourced from PubChem (CID 66696571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).