4-amino-5-iodo-2-methoxy-3-methylbenzoic acid

C9H10INO3 — CID 174669723

IUPAC4-amino-5-iodo-2-methoxy-3-methylbenzoic acid
SMILESCOc1c(C(=O)O)cc(I)c(N)c1C
InChIInChI=1S/C9H10INO3/c1-4-7(11)6(10)3-5(9(12)13)8(4)14-2/h3H,11H2,1-2H3,(H,12,13)
InChIKeyJDAHBPPKPXVCKF-UHFFFAOYSA-N
MW307.09 g/mol
LogP1.89
Rot. Bonds2

About 4-amino-5-iodo-2-methoxy-3-methylbenzoic acid

4-amino-5-iodo-2-methoxy-3-methylbenzoic acid (PubChem CID 174669723) has the molecular formula C9H10INO3 and a molecular weight of 307.09 g/mol. Its IUPAC name is 4-amino-5-iodo-2-methoxy-3-methylbenzoic acid.

Molecular Properties

Compound Name4-amino-5-iodo-2-methoxy-3-methylbenzoic acid
PubChem CID174669723
Molecular FormulaC9H10INO3
Molecular Weight307.09 g/mol
Exact Mass306.97
IUPAC Name4-amino-5-iodo-2-methoxy-3-methylbenzoic acid
SMILESCOc1c(C(=O)O)cc(I)c(N)c1C
InChIInChI=1S/C9H10INO3/c1-4-7(11)6(10)3-5(9(12)13)8(4)14-2/h3H,11H2,1-2H3,(H,12,13)
InChIKeyJDAHBPPKPXVCKF-UHFFFAOYSA-N
XLogP1.89
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-2,4,5-trimethoxybenzoic acid
CID 63023847
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724
3-amino-5-chloro-2,4-dimethoxybenzoic acid
CID 84695063
3-amino-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84667419
5-fluoro-4-hydroxy-2-methoxy-3-methylbenzoic acid
CID 19691011
3-amino-4-methoxy-2-methyl-5-propan-2-ylbenzoic acid
CID 105480459
2-amino-3-methoxyterephthalic acid
CID 132516468
2-amino-4,5-diiodobenzoic acid
CID 20534143
2,4,5-triiodobenzoic acid
CID 4693340
4-amino-2-methoxy-5-methyl-3-nitrobenzoic acid
CID 142166450
2-methoxy-3,4-dimethyl-5-nitrobenzoic acid
CID 50883106
3-bromo-2-methoxy-4,5-dimethylbenzoic acid
CID 50882990

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-iodo-2-methoxy-3-methylbenzoic acid?
The IUPAC name of 4-amino-5-iodo-2-methoxy-3-methylbenzoic acid (CID 174669723) is 4-amino-5-iodo-2-methoxy-3-methylbenzoic acid.
What is the SMILES notation for 4-amino-5-iodo-2-methoxy-3-methylbenzoic acid?
The canonical SMILES for 4-amino-5-iodo-2-methoxy-3-methylbenzoic acid is COc1c(C(=O)O)cc(I)c(N)c1C.
What is the InChIKey of 4-amino-5-iodo-2-methoxy-3-methylbenzoic acid?
The InChIKey is JDAHBPPKPXVCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO3/c1-4-7(11)6(10)3-5(9(12)13)8(4)14-2/h3H,11H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-5-iodo-2-methoxy-3-methylbenzoic acid?
4-amino-5-iodo-2-methoxy-3-methylbenzoic acid has a molecular weight of 307.09 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-iodo-2-methoxy-3-methylbenzoic acid is sourced from PubChem (CID 174669723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).