3-amino-6-fluoro-2-iodobenzoic acid

C7H5FINO2 — CID 131563982

IUPAC3-amino-6-fluoro-2-iodobenzoic acid
SMILESNc1ccc(F)c(C(=O)O)c1I
InChIInChI=1S/C7H5FINO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,10H2,(H,11,12)
InChIKeyAERCDVXQKFOJCS-UHFFFAOYSA-N
MW281.02 g/mol
LogP1.71
Rot. Bonds1

About 3-amino-6-fluoro-2-iodobenzoic acid

3-amino-6-fluoro-2-iodobenzoic acid (PubChem CID 131563982) has the molecular formula C7H5FINO2 and a molecular weight of 281.02 g/mol. Its IUPAC name is 3-amino-6-fluoro-2-iodobenzoic acid.

Molecular Properties

Compound Name3-amino-6-fluoro-2-iodobenzoic acid
PubChem CID131563982
Molecular FormulaC7H5FINO2
Molecular Weight281.02 g/mol
Exact Mass280.93
IUPAC Name3-amino-6-fluoro-2-iodobenzoic acid
SMILESNc1ccc(F)c(C(=O)O)c1I
InChIInChI=1S/C7H5FINO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,10H2,(H,11,12)
InChIKeyAERCDVXQKFOJCS-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-6-fluorophthalic acid
CID 142417413
3-amino-2-chloro-6-fluorobenzoic acid
CID 66841192
2-(aminomethyl)-3,6-difluorobenzoic acid
CID 115017213
6-fluoro-2-iodo-3-nitrobenzoic acid
CID 131545530
2-amino-4-fluorobenzene-1,3-dicarboxylic acid
CID 121254589
6-amino-2-cyano-3-fluorobenzoic acid
CID 171011234
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
6-amino-3-iodo-2-(trifluoromethyl)benzoic acid
CID 131300034
2-amino-3-cyano-6-fluorobenzoic acid
CID 171010658
3-fluoro-6-iodo-2-methylbenzoic acid
CID 71149386
1-(3-amino-6-fluoro-2-hydroxyphenyl)ethanone
CID 131372695
1-(3-amino-6-hydroxy-2-iodophenyl)ethanone
CID 131324658

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-fluoro-2-iodobenzoic acid?
The IUPAC name of 3-amino-6-fluoro-2-iodobenzoic acid (CID 131563982) is 3-amino-6-fluoro-2-iodobenzoic acid.
What is the SMILES notation for 3-amino-6-fluoro-2-iodobenzoic acid?
The canonical SMILES for 3-amino-6-fluoro-2-iodobenzoic acid is Nc1ccc(F)c(C(=O)O)c1I.
What is the InChIKey of 3-amino-6-fluoro-2-iodobenzoic acid?
The InChIKey is AERCDVXQKFOJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FINO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,10H2,(H,11,12).
What are the key properties of 3-amino-6-fluoro-2-iodobenzoic acid?
3-amino-6-fluoro-2-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-6-fluoro-2-iodobenzoic acid is sourced from PubChem (CID 131563982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).