2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid

C9H6INO4 — CID 131560223

IUPAC2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid
SMILESO=C(O)C(O)c1cccc2nc(I)oc12
InChIInChI=1S/C9H6INO4/c10-9-11-5-3-1-2-4(7(5)15-9)6(12)8(13)14/h1-3,6,12H,(H,13,14)
InChIKeyFGQNMAICVHXCHG-UHFFFAOYSA-N
MW319.05 g/mol
LogP1.55
Rot. Bonds2

About 2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid

2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid (PubChem CID 131560223) has the molecular formula C9H6INO4 and a molecular weight of 319.05 g/mol. Its IUPAC name is 2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid
PubChem CID131560223
Molecular FormulaC9H6INO4
Molecular Weight319.05 g/mol
Exact Mass318.93
IUPAC Name2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid
SMILESO=C(O)C(O)c1cccc2nc(I)oc12
InChIInChI=1S/C9H6INO4/c10-9-11-5-3-1-2-4(7(5)15-9)6(12)8(13)14/h1-3,6,12H,(H,13,14)
InChIKeyFGQNMAICVHXCHG-UHFFFAOYSA-N
XLogP1.55
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.05
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-1,3-benzoxazol-7-yl)-2-hydroxyacetic acid
CID 131605647
2-(1,2-benzoxazol-7-yl)-2-hydroxyacetic acid
CID 117283354
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
2-hydroxy-2-(2-oxo-3H-1,3-benzoxazol-7-yl)acetic acid
CID 131403905
2-(3-bromo-1-benzofuran-7-yl)-2-hydroxyacetic acid
CID 117430171
2-(2-chloro-1,3-benzoxazol-4-yl)-2-hydroxyacetic acid
CID 118801595
2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
CID 118814574
2-[2-(difluoromethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
CID 118852427
2-[2-(carboxymethyl)-1,3-benzoxazol-4-yl]-2-hydroxyacetic acid
CID 118818652
2-(2-hydrazinyl-3-iodophenyl)-2-hydroxyacetic acid
CID 130882882
2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid
CID 83866963
2-[2-(3-chloropropyl)-3-iodophenyl]-2-hydroxyacetic acid
CID 134657421

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid (CID 131560223) is 2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid is O=C(O)C(O)c1cccc2nc(I)oc12.
What is the InChIKey of 2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid?
The InChIKey is FGQNMAICVHXCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO4/c10-9-11-5-3-1-2-4(7(5)15-9)6(12)8(13)14/h1-3,6,12H,(H,13,14).
What are the key properties of 2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid?
2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid has a molecular weight of 319.05 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-iodo-1,3-benzoxazol-7-yl)acetic acid is sourced from PubChem (CID 131560223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).