methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate

C9H8F2INO2 — CID 130086264

IUPACmethyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(F)F)c(C)c1I
InChIInChI=1S/C9H8F2INO2/c1-4-6(12)5(9(14)15-2)3-13-7(4)8(10)11/h3,8H,1-2H3
InChIKeyQJVHAEJKUWLRTQ-UHFFFAOYSA-N
MW327.07 g/mol
LogP2.72
Rot. Bonds2

About methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate

methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate (PubChem CID 130086264) has the molecular formula C9H8F2INO2 and a molecular weight of 327.07 g/mol. Its IUPAC name is methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate
PubChem CID130086264
Molecular FormulaC9H8F2INO2
Molecular Weight327.07 g/mol
Exact Mass326.96
IUPAC Namemethyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cnc(C(F)F)c(C)c1I
InChIInChI=1S/C9H8F2INO2/c1-4-6(12)5(9(14)15-2)3-13-7(4)8(10)11/h3,8H,1-2H3
InChIKeyQJVHAEJKUWLRTQ-UHFFFAOYSA-N
XLogP2.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.07
LogP ≤ 52.72
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 5-cyano-6-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130077654
methyl 4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylate
CID 130087629
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275
methyl 5-amino-6-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130104300
methyl 5-bromo-2-(difluoromethyl)-3-iodopyridine-4-carboxylate
CID 134684442
methyl 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carboxylate
CID 133100847
6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118814694
methyl 4-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylate
CID 130080326
methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate
CID 130080286
6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide
CID 118854435
methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate
CID 176833508
methyl 6-(difluoromethyl)-5-hydroxy-4-nitropyridine-3-carboxylate
CID 133102814

Frequently Asked Questions

What is the IUPAC name of methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate (CID 130086264) is methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate is COC(=O)c1cnc(C(F)F)c(C)c1I.
What is the InChIKey of methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate?
The InChIKey is QJVHAEJKUWLRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2INO2/c1-4-6(12)5(9(14)15-2)3-13-7(4)8(10)11/h3,8H,1-2H3.
What are the key properties of methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate?
methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate has a molecular weight of 327.07 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(difluoromethyl)-4-iodo-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 130086264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).