methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate

C9H8F2INO2 — CID 130086278

IUPACmethyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(I)nc1C(F)F
InChIInChI=1S/C9H8F2INO2/c1-4-3-5(12)13-7(8(10)11)6(4)9(14)15-2/h3,8H,1-2H3
InChIKeyDUGHYESPWGRKNO-UHFFFAOYSA-N
MW327.07 g/mol
LogP2.72
Rot. Bonds2

About methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate

methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate (PubChem CID 130086278) has the molecular formula C9H8F2INO2 and a molecular weight of 327.07 g/mol. Its IUPAC name is methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
PubChem CID130086278
Molecular FormulaC9H8F2INO2
Molecular Weight327.07 g/mol
Exact Mass326.96
IUPAC Namemethyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(I)nc1C(F)F
InChIInChI=1S/C9H8F2INO2/c1-4-3-5(12)13-7(8(10)11)6(4)9(14)15-2/h3,8H,1-2H3
InChIKeyDUGHYESPWGRKNO-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 4-cyano-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 130077676
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398
methyl 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-carboxylate
CID 130086259
methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130069477
methyl 6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylate
CID 130086271
ethyl 2-(difluoromethyl)-4-fluoro-6-iodopyridine-3-carboxylate
CID 133105663
methyl 2-(difluoromethyl)-4,6-difluoropyridine-3-carboxylate
CID 134664214
3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
methyl 2-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659257
methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130072026
ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate
CID 133104874
methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate
CID 130105552

Frequently Asked Questions

What is the IUPAC name of methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate (CID 130086278) is methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate is COC(=O)c1c(C)cc(I)nc1C(F)F.
What is the InChIKey of methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate?
The InChIKey is DUGHYESPWGRKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2INO2/c1-4-3-5(12)13-7(8(10)11)6(4)9(14)15-2/h3,8H,1-2H3.
What are the key properties of methyl 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate?
methyl 2-(difluoromethyl)-6-iodo-4-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 2-(difluoromethyl)-6-iodo-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 130086278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).