2-fluoro-5-iodo-3-methylbenzoate

C8H5FIO2- — CID 53249655

IUPAC2-fluoro-5-iodo-3-methylbenzoate
SMILESCc1cc(I)cc(C(=O)[O-])c1F
InChIInChI=1S/C8H6FIO2/c1-4-2-5(10)3-6(7(4)9)8(11)12/h2-3H,1H3,(H,11,12)/p-1
InChIKeyZNYJZXCHBPJGIT-UHFFFAOYSA-M
MW279.03 g/mol
LogP1.10
Rot. Bonds1

About 2-fluoro-5-iodo-3-methylbenzoate

2-fluoro-5-iodo-3-methylbenzoate (PubChem CID 53249655) has the molecular formula C8H5FIO2- and a molecular weight of 279.03 g/mol. Its IUPAC name is 2-fluoro-5-iodo-3-methylbenzoate.

Molecular Properties

Compound Name2-fluoro-5-iodo-3-methylbenzoate
PubChem CID53249655
Molecular FormulaC8H5FIO2-
Molecular Weight279.03 g/mol
Exact Mass278.93
IUPAC Name2-fluoro-5-iodo-3-methylbenzoate
SMILESCc1cc(I)cc(C(=O)[O-])c1F
InChIInChI=1S/C8H6FIO2/c1-4-2-5(10)3-6(7(4)9)8(11)12/h2-3H,1H3,(H,11,12)/p-1
InChIKeyZNYJZXCHBPJGIT-UHFFFAOYSA-M
XLogP1.10
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.03
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-methoxy-3-methylbenzoate
CID 131739020
2-fluoro-5-iodo-3-methylphenol
CID 164892490
potassium 2-hydroxy-3,5-diiodobenzoate
CID 23716296
3,5-diiodo-2-methoxybenzoate
CID 21272597
2-fluoro-5-iodo-3-methylbenzaldehyde
CID 164891132
potassium 2-iodo-3,4,5-trimethylbenzoate
CID 141158453
sodium 2,3,4,5-tetrafluorobenzoate
CID 23675288
bis(2-fluoro-3,5-dimethylphenyl)methanone
CID 139698663
2-[(2-fluoro-3-methylbenzoyl)amino]-5-iodobenzoic acid
CID 81480850
4-fluoro-5-methylbenzene-1,3-dicarboxylic acid
CID 151692716
2-amino-5-iodobenzoate
CID 6919461
2,3-difluoro-5-iodobenzamide
CID 121345074

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-iodo-3-methylbenzoate?
The IUPAC name of 2-fluoro-5-iodo-3-methylbenzoate (CID 53249655) is 2-fluoro-5-iodo-3-methylbenzoate.
What is the SMILES notation for 2-fluoro-5-iodo-3-methylbenzoate?
The canonical SMILES for 2-fluoro-5-iodo-3-methylbenzoate is Cc1cc(I)cc(C(=O)[O-])c1F.
What is the InChIKey of 2-fluoro-5-iodo-3-methylbenzoate?
The InChIKey is ZNYJZXCHBPJGIT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6FIO2/c1-4-2-5(10)3-6(7(4)9)8(11)12/h2-3H,1H3,(H,11,12)/p-1.
What are the key properties of 2-fluoro-5-iodo-3-methylbenzoate?
2-fluoro-5-iodo-3-methylbenzoate has a molecular weight of 279.03 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-iodo-3-methylbenzoate is sourced from PubChem (CID 53249655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).