methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate

C8H7FINO2 — CID 130839526

IUPACmethyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(I)cc(F)n1
InChIInChI=1S/C8H7FINO2/c1-13-8(12)4-6-2-5(10)3-7(9)11-6/h2-3H,4H2,1H3
InChIKeyLTXTWUGQUWLIEY-UHFFFAOYSA-N
MW295.05 g/mol
LogP1.54
Rot. Bonds2

About methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate

methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate (PubChem CID 130839526) has the molecular formula C8H7FINO2 and a molecular weight of 295.05 g/mol. Its IUPAC name is methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate
PubChem CID130839526
Molecular FormulaC8H7FINO2
Molecular Weight295.05 g/mol
Exact Mass294.95
IUPAC Namemethyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(I)cc(F)n1
InChIInChI=1S/C8H7FINO2/c1-13-8(12)4-6-2-5(10)3-7(9)11-6/h2-3H,4H2,1H3
InChIKeyLTXTWUGQUWLIEY-UHFFFAOYSA-N
XLogP1.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.05
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097135
methyl 2-(4-fluoro-6-methyl-2-pyridinyl)acetate
CID 131168247
methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate
CID 133102106
methyl 2-[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134663513
methyl 2-[6-bromo-4-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134685061
methyl 2-(6-bromo-4-methoxy-2-pyridinyl)acetate
CID 133098108
methyl 2-(3-fluoro-5-iodo-2-pyridinyl)acetate
CID 130926015
methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134663047
methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134684328
methyl 2-(5-fluoro-6-methoxy-2-pyridinyl)acetate
CID 133097041
methyl 2-(4-ethyl-6-methyl-2-pyridinyl)acetate
CID 59382426
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134675626

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate?
The IUPAC name of methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate (CID 130839526) is methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate?
The canonical SMILES for methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate is COC(=O)Cc1cc(I)cc(F)n1.
What is the InChIKey of methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate?
The InChIKey is LTXTWUGQUWLIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FINO2/c1-13-8(12)4-6-2-5(10)3-7(9)11-6/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate?
methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate has a molecular weight of 295.05 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-fluoro-4-iodo-2-pyridinyl)acetate is sourced from PubChem (CID 130839526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).