3-amino-2-fluoro-4-iodobenzoic acid

C7H5FINO2 — CID 131563992

IUPAC3-amino-2-fluoro-4-iodobenzoic acid
SMILESNc1c(I)ccc(C(=O)O)c1F
InChIInChI=1S/C7H5FINO2/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2H,10H2,(H,11,12)
InChIKeyBILGXBGLNHRFBO-UHFFFAOYSA-N
MW281.02 g/mol
LogP1.71
Rot. Bonds1

About 3-amino-2-fluoro-4-iodobenzoic acid

3-amino-2-fluoro-4-iodobenzoic acid (PubChem CID 131563992) has the molecular formula C7H5FINO2 and a molecular weight of 281.02 g/mol. Its IUPAC name is 3-amino-2-fluoro-4-iodobenzoic acid.

Molecular Properties

Compound Name3-amino-2-fluoro-4-iodobenzoic acid
PubChem CID131563992
Molecular FormulaC7H5FINO2
Molecular Weight281.02 g/mol
Exact Mass280.93
IUPAC Name3-amino-2-fluoro-4-iodobenzoic acid
SMILESNc1c(I)ccc(C(=O)O)c1F
InChIInChI=1S/C7H5FINO2/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2H,10H2,(H,11,12)
InChIKeyBILGXBGLNHRFBO-UHFFFAOYSA-N
XLogP1.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.02
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-fluoro-4-hydroxybenzoic acid
CID 84653967
3-cyano-2-fluoro-4-iodobenzoic acid
CID 130776628
3-amino-2-ethyl-4-iodobenzoic acid
CID 69226791
2-amino-4-chloro-3-fluorobenzoic acid
CID 28974171
2-(carbamothioylamino)-3-fluoro-4-iodobenzoic acid
CID 169359453
2-amino-4-bromo-3-fluorobenzoic acid;ethane
CID 170732130
2-amino-6-bromo-3-iodobenzoic acid
CID 177369050
2-amino-4-fluorobenzene-1,3-dicarboxylic acid
CID 121254589
2-amino-4,5-diiodobenzoic acid
CID 20534143
5-amino-3-fluoro-2,4-dimethylbenzoic acid
CID 84768923
1-(3-amino-4-iodo-2-methylphenyl)ethanone
CID 171027183
3-carbamoyl-2,4-difluorobenzoic acid
CID 151336938

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-fluoro-4-iodobenzoic acid?
The IUPAC name of 3-amino-2-fluoro-4-iodobenzoic acid (CID 131563992) is 3-amino-2-fluoro-4-iodobenzoic acid.
What is the SMILES notation for 3-amino-2-fluoro-4-iodobenzoic acid?
The canonical SMILES for 3-amino-2-fluoro-4-iodobenzoic acid is Nc1c(I)ccc(C(=O)O)c1F.
What is the InChIKey of 3-amino-2-fluoro-4-iodobenzoic acid?
The InChIKey is BILGXBGLNHRFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FINO2/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2H,10H2,(H,11,12).
What are the key properties of 3-amino-2-fluoro-4-iodobenzoic acid?
3-amino-2-fluoro-4-iodobenzoic acid has a molecular weight of 281.02 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-fluoro-4-iodobenzoic acid is sourced from PubChem (CID 131563992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).