methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate

C9H8F2INO2 — CID 130086271

IUPACmethyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)c(C)cc1I
InChIInChI=1S/C9H8F2INO2/c1-4-3-5(12)7(9(14)15-2)13-6(4)8(10)11/h3,8H,1-2H3
InChIKeyFMJGDVADMIKWCY-UHFFFAOYSA-N
MW327.07 g/mol
LogP2.72
Rot. Bonds2

About methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate

methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate (PubChem CID 130086271) has the molecular formula C9H8F2INO2 and a molecular weight of 327.07 g/mol. Its IUPAC name is methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate
PubChem CID130086271
Molecular FormulaC9H8F2INO2
Molecular Weight327.07 g/mol
Exact Mass326.96
IUPAC Namemethyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)c(C)cc1I
InChIInChI=1S/C9H8F2INO2/c1-4-3-5(12)7(9(14)15-2)13-6(4)8(10)11/h3,8H,1-2H3
InChIKeyFMJGDVADMIKWCY-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

6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylic acid
CID 118809209
6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxamide
CID 130086462
methyl 6-(difluoromethyl)-3-fluoro-5-iodopyridine-2-carboxylate
CID 130080291
methyl 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-carboxylate
CID 130086259
methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130105551
methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
CID 130086278
2-[6-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetic acid
CID 118848636
ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134677140
methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
6-(difluoromethyl)-2-iodo-5-methylpyridine-3-carboxylic acid
CID 118815145
methyl 3-(difluoromethyl)-6-methylpyrazine-2-carboxylate
CID 176833508
methyl 5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 130087279

Frequently Asked Questions

What is the IUPAC name of methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate?
The IUPAC name of methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate (CID 130086271) is methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate is COC(=O)c1nc(C(F)F)c(C)cc1I.
What is the InChIKey of methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate?
The InChIKey is FMJGDVADMIKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2INO2/c1-4-3-5(12)7(9(14)15-2)13-6(4)8(10)11/h3,8H,1-2H3.
What are the key properties of methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate?
methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-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)-3-iodo-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 130086271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).