3-fluoro-6-iodo-2-methylbenzoic acid

C8H6FIO2 — CID 71149386

IUPAC3-fluoro-6-iodo-2-methylbenzoic acid
SMILESCc1c(F)ccc(I)c1C(=O)O
InChIInChI=1S/C8H6FIO2/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyCZWRYOJMOUNTFF-UHFFFAOYSA-N
MW280.04 g/mol
LogP2.44
Rot. Bonds1

About 3-fluoro-6-iodo-2-methylbenzoic acid

3-fluoro-6-iodo-2-methylbenzoic acid (PubChem CID 71149386) has the molecular formula C8H6FIO2 and a molecular weight of 280.04 g/mol. Its IUPAC name is 3-fluoro-6-iodo-2-methylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-6-iodo-2-methylbenzoic acid
PubChem CID71149386
Molecular FormulaC8H6FIO2
Molecular Weight280.04 g/mol
Exact Mass279.94
IUPAC Name3-fluoro-6-iodo-2-methylbenzoic acid
SMILESCc1c(F)ccc(I)c1C(=O)O
InChIInChI=1S/C8H6FIO2/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyCZWRYOJMOUNTFF-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.04
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-iodo-2-methylbenzoic acid?
The IUPAC name of 3-fluoro-6-iodo-2-methylbenzoic acid (CID 71149386) is 3-fluoro-6-iodo-2-methylbenzoic acid.
What is the SMILES notation for 3-fluoro-6-iodo-2-methylbenzoic acid?
The canonical SMILES for 3-fluoro-6-iodo-2-methylbenzoic acid is Cc1c(F)ccc(I)c1C(=O)O.
What is the InChIKey of 3-fluoro-6-iodo-2-methylbenzoic acid?
The InChIKey is CZWRYOJMOUNTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIO2/c1-4-5(9)2-3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 3-fluoro-6-iodo-2-methylbenzoic acid?
3-fluoro-6-iodo-2-methylbenzoic acid has a molecular weight of 280.04 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-iodo-2-methylbenzoic acid is sourced from PubChem (CID 71149386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).