methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate

C9H8F2INO2 — CID 134673333

IUPACmethyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(I)cncc1C(F)F
InChIInChI=1S/C9H8F2INO2/c1-15-8(14)2-5-6(9(10)11)3-13-4-7(5)12/h3-4,9H,2H2,1H3
InChIKeyRSENRTYCGKXZJJ-UHFFFAOYSA-N
MW327.07 g/mol
LogP2.34
Rot. Bonds3

About methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate

methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate (PubChem CID 134673333) has the molecular formula C9H8F2INO2 and a molecular weight of 327.07 g/mol. Its IUPAC name is methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate
PubChem CID134673333
Molecular FormulaC9H8F2INO2
Molecular Weight327.07 g/mol
Exact Mass326.96
IUPAC Namemethyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(I)cncc1C(F)F
InChIInChI=1S/C9H8F2INO2/c1-15-8(14)2-5-6(9(10)11)3-13-4-7(5)12/h3-4,9H,2H2,1H3
InChIKeyRSENRTYCGKXZJJ-UHFFFAOYSA-N
XLogP2.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.07
LogP ≤ 52.34
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

methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 133093227
methyl 2-[5-(difluoromethyl)-2,3-diiodo-4-pyridinyl]acetate
CID 134668582
methyl 2-(3-fluoro-5-iodo-4-pyridinyl)acetate
CID 130837858
methyl 2-[2-chloro-5-(difluoromethyl)-3-iodo-4-pyridinyl]acetate
CID 134685488
methyl 2-[5-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133102118
methyl 2-[2-bromo-5-(difluoromethyl)-4-iodo-3-pyridinyl]acetate
CID 134685063
methyl 2-[3-bromo-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 134674264
methyl 2-[3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 133103983
methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134663534
methyl 2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134684285
methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134683940
methyl 2-[3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133100816

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate (CID 134673333) is methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate is COC(=O)Cc1c(I)cncc1C(F)F.
What is the InChIKey of methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate?
The InChIKey is RSENRTYCGKXZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2INO2/c1-15-8(14)2-5-6(9(10)11)3-13-4-7(5)12/h3-4,9H,2H2,1H3.
What are the key properties of methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate?
methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate has a molecular weight of 327.07 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate is sourced from PubChem (CID 134673333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).