2-iodo-5-(methylamino)benzoic acid

C8H8INO2 — CID 131508198

IUPAC2-iodo-5-(methylamino)benzoic acid
SMILESCNc1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C8H8INO2/c1-10-5-2-3-7(9)6(4-5)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKeyPCIAFYQHFSMCNM-UHFFFAOYSA-N
MW277.06 g/mol
LogP2.03
Rot. Bonds2

About 2-iodo-5-(methylamino)benzoic acid

2-iodo-5-(methylamino)benzoic acid (PubChem CID 131508198) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 2-iodo-5-(methylamino)benzoic acid.

Molecular Properties

Compound Name2-iodo-5-(methylamino)benzoic acid
PubChem CID131508198
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Name2-iodo-5-(methylamino)benzoic acid
SMILESCNc1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C8H8INO2/c1-10-5-2-3-7(9)6(4-5)8(11)12/h2-4,10H,1H3,(H,11,12)
InChIKeyPCIAFYQHFSMCNM-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-benzamido-2-iodobenzoic acid
CID 2974228
5-(methylamino)-2-(methyldiazenyl)benzoic acid
CID 20589181
5-(methylamino)-2-pyrrolidin-1-ylbenzoic acid
CID 153184017
5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid
CID 144854938
2-iodo-5-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid
CID 2974192
2-formyloxy-4-(methylamino)benzoic acid
CID 174486890
2,4,5-triiodobenzoic acid
CID 4693340
[2,5-bis(methylamino)phenyl]-phenylmethanone
CID 57239314
[2-chloro-5-(methylamino)phenyl]-phenylmethanone
CID 21314189
5-(hydroxysulfamoyl)-2-iodobenzoic acid
CID 103962652
5-(dimethylaminosulfamoyl)-2-iodobenzoic acid
CID 103962667
6-(methylamino)-2-oxo-1H-quinoline-3-carboxylic acid
CID 151454660

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(methylamino)benzoic acid?
The IUPAC name of 2-iodo-5-(methylamino)benzoic acid (CID 131508198) is 2-iodo-5-(methylamino)benzoic acid.
What is the SMILES notation for 2-iodo-5-(methylamino)benzoic acid?
The canonical SMILES for 2-iodo-5-(methylamino)benzoic acid is CNc1ccc(I)c(C(=O)O)c1.
What is the InChIKey of 2-iodo-5-(methylamino)benzoic acid?
The InChIKey is PCIAFYQHFSMCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c1-10-5-2-3-7(9)6(4-5)8(11)12/h2-4,10H,1H3,(H,11,12).
What are the key properties of 2-iodo-5-(methylamino)benzoic acid?
2-iodo-5-(methylamino)benzoic acid has a molecular weight of 277.06 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(methylamino)benzoic acid is sourced from PubChem (CID 131508198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).