methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate

C8H5F3INO2 — CID 130080286

IUPACmethyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)F)ncc(I)c1F
InChIInChI=1S/C8H5F3INO2/c1-15-8(14)4-5(9)3(12)2-13-6(4)7(10)11/h2,7H,1H3
InChIKeyBXZUJVKOKPNUPG-UHFFFAOYSA-N
MW331.03 g/mol
LogP2.55
Rot. Bonds2

About methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate

methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate (PubChem CID 130080286) has the molecular formula C8H5F3INO2 and a molecular weight of 331.03 g/mol. Its IUPAC name is methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate
PubChem CID130080286
Molecular FormulaC8H5F3INO2
Molecular Weight331.03 g/mol
Exact Mass330.93
IUPAC Namemethyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate
SMILESCOC(=O)c1c(C(F)F)ncc(I)c1F
InChIInChI=1S/C8H5F3INO2/c1-15-8(14)4-5(9)3(12)2-13-6(4)7(10)11/h2,7H,1H3
InChIKeyBXZUJVKOKPNUPG-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 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carboxylate
CID 133100847
methyl 5-bromo-2-(difluoromethyl)-3-iodopyridine-4-carboxylate
CID 134684442
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275
methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
methyl 2-(difluoromethyl)-3-fluoro-5-nitropyridine-4-carboxylate
CID 133105039
2-(difluoromethyl)-3-fluoro-5-iodopyridine-4-carboxylic acid
CID 118837172
methyl 5-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 130080332
methyl 4-bromo-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095251
methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130104300
methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate
CID 130086264
2-(difluoromethyl)-4-fluoro-5-iodopyridin-3-ol
CID 118820579
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398

Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate?
The IUPAC name of methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate (CID 130080286) is methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate?
The canonical SMILES for methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate is COC(=O)c1c(C(F)F)ncc(I)c1F.
What is the InChIKey of methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate?
The InChIKey is BXZUJVKOKPNUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INO2/c1-15-8(14)4-5(9)3(12)2-13-6(4)7(10)11/h2,7H,1H3.
What are the key properties of methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate?
methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-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 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate is sourced from PubChem (CID 130080286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).