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

C11H12F2INO3 — CID 133101552

IUPACethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(I)cc(C(F)F)nc1OC
InChIInChI=1S/C11H12F2INO3/c1-3-18-9(16)4-6-7(14)5-8(10(12)13)15-11(6)17-2/h5,10H,3-4H2,1-2H3
InChIKeyRMUZHUZENRCCGP-UHFFFAOYSA-N
MW371.12 g/mol
LogP2.74
Rot. Bonds5

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

ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate (PubChem CID 133101552) has the molecular formula C11H12F2INO3 and a molecular weight of 371.12 g/mol. Its IUPAC name is ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
PubChem CID133101552
Molecular FormulaC11H12F2INO3
Molecular Weight371.12 g/mol
Exact Mass370.98
IUPAC Nameethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(I)cc(C(F)F)nc1OC
InChIInChI=1S/C11H12F2INO3/c1-3-18-9(16)4-6-7(14)5-8(10(12)13)15-11(6)17-2/h5,10H,3-4H2,1-2H3
InChIKeyRMUZHUZENRCCGP-UHFFFAOYSA-N
XLogP2.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.12
LogP ≤ 52.74
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

ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate
CID 133085366
ethyl 2-[6-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677365
ethyl 2-[6-(difluoromethyl)-2-fluoro-4-methoxy-3-pyridinyl]acetate
CID 133105470
methyl 2-[4-amino-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134683257
methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate
CID 133105815
ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676450
ethyl 2-[6-(difluoromethyl)-4-fluoro-2-methyl-3-pyridinyl]acetate
CID 133104991
ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134684334
ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 134673422
ethyl 2-[5-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133102071
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664307
ethyl 2-[4-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134682292

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate (CID 133101552) is ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate is CCOC(=O)Cc1c(I)cc(C(F)F)nc1OC.
What is the InChIKey of ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate?
The InChIKey is RMUZHUZENRCCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2INO3/c1-3-18-9(16)4-6-7(14)5-8(10(12)13)15-11(6)17-2/h5,10H,3-4H2,1-2H3.
What are the key properties of ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate?
ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate has a molecular weight of 371.12 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 133101552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).