methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate

C10H10F2INO3 — CID 133102109

IUPACmethyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(OC)c1I
InChIInChI=1S/C10H10F2INO3/c1-16-7-3-6(10(11)12)14-5(9(7)13)4-8(15)17-2/h3,10H,4H2,1-2H3
InChIKeyNERWMJLIRBSCOI-UHFFFAOYSA-N
MW357.09 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate

methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate (PubChem CID 133102109) has the molecular formula C10H10F2INO3 and a molecular weight of 357.09 g/mol. Its IUPAC name is methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
PubChem CID133102109
Molecular FormulaC10H10F2INO3
Molecular Weight357.09 g/mol
Exact Mass356.97
IUPAC Namemethyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(OC)c1I
InChIInChI=1S/C10H10F2INO3/c1-16-7-3-6(10(11)12)14-5(9(7)13)4-8(15)17-2/h3,10H,4H2,1-2H3
InChIKeyNERWMJLIRBSCOI-UHFFFAOYSA-N
XLogP2.35
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.09
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134670856
methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134660886
methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134676492
methyl 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxylate
CID 133102179
methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134686434
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 133104847
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 133084326
methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
CID 134684404
6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide
CID 130085884
methyl 2-[2-(difluoromethyl)-6-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102034
methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102111
methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate
CID 133105815

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate (CID 133102109) is methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate is COC(=O)Cc1nc(C(F)F)cc(OC)c1I.
What is the InChIKey of methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate?
The InChIKey is NERWMJLIRBSCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO3/c1-16-7-3-6(10(11)12)14-5(9(7)13)4-8(15)17-2/h3,10H,4H2,1-2H3.
What are the key properties of methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate?
methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate has a molecular weight of 357.09 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate is sourced from PubChem (CID 133102109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).