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

C10H10F2INO2 — CID 133101387

IUPACethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)cc(I)nc1C
InChIInChI=1S/C10H10F2INO2/c1-3-16-10(15)8-5(2)14-7(13)4-6(8)9(11)12/h4,9H,3H2,1-2H3
InChIKeyWWTALDHEHSFNDT-UHFFFAOYSA-N
MW341.10 g/mol
LogP3.11
Rot. Bonds3

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

ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate (PubChem CID 133101387) has the molecular formula C10H10F2INO2 and a molecular weight of 341.10 g/mol. Its IUPAC name is ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate
PubChem CID133101387
Molecular FormulaC10H10F2INO2
Molecular Weight341.10 g/mol
Exact Mass340.97
IUPAC Nameethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)cc(I)nc1C
InChIInChI=1S/C10H10F2INO2/c1-3-16-10(15)8-5(2)14-7(13)4-6(8)9(11)12/h4,9H,3H2,1-2H3
InChIKeyWWTALDHEHSFNDT-UHFFFAOYSA-N
XLogP3.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.10
LogP ≤ 53.11
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

ethyl 4-(difluoromethyl)-2-iodo-6-methoxypyridine-3-carboxylate
CID 133102053
ethyl 2-(difluoromethyl)-4-fluoro-6-iodopyridine-3-carboxylate
CID 133105663
ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134684738
ethyl 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677344
ethyl 4-(difluoromethyl)-6-iodo-3-nitropyridine-2-carboxylate
CID 133101681
ethyl 4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carboxylate
CID 133106060
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675365
ethyl 4-(difluoromethyl)-5,6-diiodopyridine-2-carboxylate
CID 134671919
ethyl 2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 133104291
ethyl 2-amino-6-(bromomethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134677189
ethyl 2-(bromomethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 133104522

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate (CID 133101387) is ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)cc(I)nc1C.
What is the InChIKey of ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate?
The InChIKey is WWTALDHEHSFNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO2/c1-3-16-10(15)8-5(2)14-7(13)4-6(8)9(11)12/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate?
ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate has a molecular weight of 341.10 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133101387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).