2-iodo-6-morpholin-4-ylbenzoic acid

C11H12INO3 — CID 171316340

IUPAC2-iodo-6-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1c(I)cccc1N1CCOCC1
InChIInChI=1S/C11H12INO3/c12-8-2-1-3-9(10(8)11(14)15)13-4-6-16-7-5-13/h1-3H,4-7H2,(H,14,15)
InChIKeyWBOCWPSXVRMXFD-UHFFFAOYSA-N
MW333.13 g/mol
LogP1.83
Rot. Bonds2

About 2-iodo-6-morpholin-4-ylbenzoic acid

2-iodo-6-morpholin-4-ylbenzoic acid (PubChem CID 171316340) has the molecular formula C11H12INO3 and a molecular weight of 333.13 g/mol. Its IUPAC name is 2-iodo-6-morpholin-4-ylbenzoic acid.

Molecular Properties

Compound Name2-iodo-6-morpholin-4-ylbenzoic acid
PubChem CID171316340
Molecular FormulaC11H12INO3
Molecular Weight333.13 g/mol
Exact Mass332.99
IUPAC Name2-iodo-6-morpholin-4-ylbenzoic acid
SMILESO=C(O)c1c(I)cccc1N1CCOCC1
InChIInChI=1S/C11H12INO3/c12-8-2-1-3-9(10(8)11(14)15)13-4-6-16-7-5-13/h1-3H,4-7H2,(H,14,15)
InChIKeyWBOCWPSXVRMXFD-UHFFFAOYSA-N
XLogP1.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
2-methyl-3-morpholin-4-ylbenzoate
CID 7148425
ethane;methyl 2-chloro-6-morpholin-4-ylbenzoate
CID 144574746
2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid
CID 23510312
7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid
CID 121427368
4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride
CID 118526836
2-amino-6-morpholin-4-ylbenzenecarboximidamide
CID 143704993
4,5-dimorpholin-4-ylnaphthalene-1,8-dicarboxylic acid
CID 23793828
2-fluoro-6-morpholin-4-ylphenol
CID 46737228
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-morpholin-4-ylbenzoic acid?
The IUPAC name of 2-iodo-6-morpholin-4-ylbenzoic acid (CID 171316340) is 2-iodo-6-morpholin-4-ylbenzoic acid.
What is the SMILES notation for 2-iodo-6-morpholin-4-ylbenzoic acid?
The canonical SMILES for 2-iodo-6-morpholin-4-ylbenzoic acid is O=C(O)c1c(I)cccc1N1CCOCC1.
What is the InChIKey of 2-iodo-6-morpholin-4-ylbenzoic acid?
The InChIKey is WBOCWPSXVRMXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO3/c12-8-2-1-3-9(10(8)11(14)15)13-4-6-16-7-5-13/h1-3H,4-7H2,(H,14,15).
What are the key properties of 2-iodo-6-morpholin-4-ylbenzoic acid?
2-iodo-6-morpholin-4-ylbenzoic acid has a molecular weight of 333.13 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-morpholin-4-ylbenzoic acid is sourced from PubChem (CID 171316340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).