2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid

C13H8F2INO2 — CID 169274158

IUPAC2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
SMILESO=C(O)c1c(F)cccc1Nc1ccc(I)cc1F
InChIInChI=1S/C13H8F2INO2/c14-8-2-1-3-11(12(8)13(18)19)17-10-5-4-7(16)6-9(10)15/h1-6,17H,(H,18,19)
InChIKeyHXCYAMYLGRKIEO-UHFFFAOYSA-N
MW375.11 g/mol
LogP4.01
Rot. Bonds3

About 2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid

2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid (PubChem CID 169274158) has the molecular formula C13H8F2INO2 and a molecular weight of 375.11 g/mol. Its IUPAC name is 2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
PubChem CID169274158
Molecular FormulaC13H8F2INO2
Molecular Weight375.11 g/mol
Exact Mass374.96
IUPAC Name2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
SMILESO=C(O)c1c(F)cccc1Nc1ccc(I)cc1F
InChIInChI=1S/C13H8F2INO2/c14-8-2-1-3-11(12(8)13(18)19)17-10-5-4-7(16)6-9(10)15/h1-6,17H,(H,18,19)
InChIKeyHXCYAMYLGRKIEO-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.11
LogP ≤ 54.01
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

2-fluoro-6-(4-fluoroanilino)benzoic acid
CID 82296803
2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
CID 15592636
5-acetyl-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxylic acid
CID 25188086
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide
CID 150172306
2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 71580064
2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid
CID 66853447
2-benzamido-6-fluorobenzoic acid
CID 13389963
tert-butyl 2-(2-fluoro-4-iodoanilino)benzoate
CID 154151526
2-(2-fluoro-4-iodoanilino)benzoyl azide
CID 174831673
5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
2-[(3,5-dihydroxybenzoyl)amino]-6-fluorobenzoic acid
CID 107702397
2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
CID 174579692

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid?
The IUPAC name of 2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid (CID 169274158) is 2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid?
The canonical SMILES for 2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid is O=C(O)c1c(F)cccc1Nc1ccc(I)cc1F.
What is the InChIKey of 2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid?
The InChIKey is HXCYAMYLGRKIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2INO2/c14-8-2-1-3-11(12(8)13(18)19)17-10-5-4-7(16)6-9(10)15/h1-6,17H,(H,18,19).
What are the key properties of 2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid?
2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid has a molecular weight of 375.11 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid is sourced from PubChem (CID 169274158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).