methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate

C8H5F3INO2 — CID 130080291

IUPACmethyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)c(I)cc1F
InChIInChI=1S/C8H5F3INO2/c1-15-8(14)5-3(9)2-4(12)6(13-5)7(10)11/h2,7H,1H3
InChIKeyKFFBYTMLQHLVGQ-UHFFFAOYSA-N
MW331.03 g/mol
LogP2.55
Rot. Bonds2

About methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate

methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate (PubChem CID 130080291) has the molecular formula C8H5F3INO2 and a molecular weight of 331.03 g/mol. Its IUPAC name is methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate
PubChem CID130080291
Molecular FormulaC8H5F3INO2
Molecular Weight331.03 g/mol
Exact Mass330.93
IUPAC Namemethyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)c(I)cc1F
InChIInChI=1S/C8H5F3INO2/c1-15-8(14)5-3(9)2-4(12)6(13-5)7(10)11/h2,7H,1H3
InChIKeyKFFBYTMLQHLVGQ-UHFFFAOYSA-N
XLogP2.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.03
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate
CID 130086271
methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
[6-(difluoromethyl)-3-fluoro-5-iodo-2-pyridinyl]methanol
CID 118854432
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
6-(difluoromethyl)-2-fluoro-5-iodopyridine-3-carboxylic acid
CID 118831957
methyl 2-(difluoromethyl)-4,6-difluoropyridine-3-carboxylate
CID 134664214
methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130105551
methyl 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxylate
CID 133102179
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398
methyl 5-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 134675061
ethyl 3-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100576
methyl 2-[3-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134673837

Frequently Asked Questions

What is the IUPAC name of methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate?
The IUPAC name of methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate (CID 130080291) is methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate?
The canonical SMILES for methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate is COC(=O)c1nc(C(F)F)c(I)cc1F.
What is the InChIKey of methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate?
The InChIKey is KFFBYTMLQHLVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INO2/c1-15-8(14)5-3(9)2-4(12)6(13-5)7(10)11/h2,7H,1H3.
What are the key properties of methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate?
methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate has a molecular weight of 331.03 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate is sourced from PubChem (CID 130080291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).