methyl 2-fluoro-5-iodopyridine-3-carboxylate

C7H5FINO2 — CID 130882926

IUPACmethyl 2-fluoro-5-iodopyridine-3-carboxylate
SMILESCOC(=O)c1cc(I)cnc1F
InChIInChI=1S/C7H5FINO2/c1-12-7(11)5-2-4(9)3-10-6(5)8/h2-3H,1H3
InChIKeyGNGPMUDXUKCTSA-UHFFFAOYSA-N
MW281.02 g/mol
LogP1.61
Rot. Bonds1

About methyl 2-fluoro-5-iodopyridine-3-carboxylate

methyl 2-fluoro-5-iodopyridine-3-carboxylate (PubChem CID 130882926) has the molecular formula C7H5FINO2 and a molecular weight of 281.02 g/mol. Its IUPAC name is methyl 2-fluoro-5-iodopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-iodopyridine-3-carboxylate
PubChem CID130882926
Molecular FormulaC7H5FINO2
Molecular Weight281.02 g/mol
Exact Mass280.93
IUPAC Namemethyl 2-fluoro-5-iodopyridine-3-carboxylate
SMILESCOC(=O)c1cc(I)cnc1F
InChIInChI=1S/C7H5FINO2/c1-12-7(11)5-2-4(9)3-10-6(5)8/h2-3H,1H3
InChIKeyGNGPMUDXUKCTSA-UHFFFAOYSA-N
XLogP1.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.02
LogP ≤ 51.61
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-fluoro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 118704463
methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate
CID 171084326
methyl 2-fluoro-5-iodobenzoate
CID 24820379
methyl 5-(2,6-dichlorophenyl)-2-fluoropyridine-3-carboxylate
CID 133090529
methyl 5-(3-bromo-1,2-dihydroxypropyl)-2-fluoropyridine-3-carboxylate
CID 171860646
methyl 5-(3-acetylsulfanyl-1,2-dihydroxypropyl)-2-fluoropyridine-3-carboxylate
CID 170822598
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841
methyl 5-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]-2-fluoropyridine-3-carboxylate
CID 170806906
methyl 5-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 130080332
methyl 2-(3-fluoro-5-iodo-2-pyridinyl)acetate
CID 130926015
methyl 2-hydroxy-3,5-diiodobenzoate
CID 3695482
methyl 5-bromo-2-iodopyridine-4-carboxylate
CID 91667368

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-iodopyridine-3-carboxylate?
The IUPAC name of methyl 2-fluoro-5-iodopyridine-3-carboxylate (CID 130882926) is methyl 2-fluoro-5-iodopyridine-3-carboxylate.
What is the SMILES notation for methyl 2-fluoro-5-iodopyridine-3-carboxylate?
The canonical SMILES for methyl 2-fluoro-5-iodopyridine-3-carboxylate is COC(=O)c1cc(I)cnc1F.
What is the InChIKey of methyl 2-fluoro-5-iodopyridine-3-carboxylate?
The InChIKey is GNGPMUDXUKCTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FINO2/c1-12-7(11)5-2-4(9)3-10-6(5)8/h2-3H,1H3.
What are the key properties of methyl 2-fluoro-5-iodopyridine-3-carboxylate?
methyl 2-fluoro-5-iodopyridine-3-carboxylate has a molecular weight of 281.02 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-iodopyridine-3-carboxylate is sourced from PubChem (CID 130882926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).