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

C9H7F3INO2 — CID 133105815

IUPACmethyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(I)cc(C(F)F)nc1F
InChIInChI=1S/C9H7F3INO2/c1-16-7(15)2-4-5(13)3-6(8(10)11)14-9(4)12/h3,8H,2H2,1H3
InChIKeyRSCYOTGOSRNVKI-UHFFFAOYSA-N
MW345.06 g/mol
LogP2.48
Rot. Bonds3

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

methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate (PubChem CID 133105815) has the molecular formula C9H7F3INO2 and a molecular weight of 345.06 g/mol. Its IUPAC name is methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate
PubChem CID133105815
Molecular FormulaC9H7F3INO2
Molecular Weight345.06 g/mol
Exact Mass344.95
IUPAC Namemethyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(I)cc(C(F)F)nc1F
InChIInChI=1S/C9H7F3INO2/c1-16-7(15)2-4-5(13)3-6(8(10)11)14-9(4)12/h3,8H,2H2,1H3
InChIKeyRSCYOTGOSRNVKI-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.06
LogP ≤ 52.48
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 2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100700
ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133101552
methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134686434
[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]methanamine
CID 130079991
methyl 2-[6-bromo-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 134671729
methyl 2-[3-bromo-6-(difluoromethyl)-2-iodo-4-pyridinyl]acetate
CID 134684471
methyl 2-[6-(difluoromethyl)-4-fluoro-2-nitro-3-pyridinyl]acetate
CID 133105138
ethyl 2-[6-(difluoromethyl)-2-fluoro-4-methoxy-3-pyridinyl]acetate
CID 133105470
methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102109
methyl 2-[4-amino-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134683257
methyl 2-[6-bromo-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134686094
methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134660886

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate (CID 133105815) is methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate is COC(=O)Cc1c(I)cc(C(F)F)nc1F.
What is the InChIKey of methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate?
The InChIKey is RSCYOTGOSRNVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3INO2/c1-16-7(15)2-4-5(13)3-6(8(10)11)14-9(4)12/h3,8H,2H2,1H3.
What are the key properties of methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate?
methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate has a molecular weight of 345.06 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(difluoromethyl)-2-fluoro-4-iodo-3-pyridinyl]acetate is sourced from PubChem (CID 133105815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).