methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate

C10H10F2INO3 — CID 133102106

IUPACmethyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(I)c(OC)c(C(F)F)n1
InChIInChI=1S/C10H10F2INO3/c1-16-7(15)4-5-3-6(13)9(17-2)8(14-5)10(11)12/h3,10H,4H2,1-2H3
InChIKeyMWVRYAXARFNICP-UHFFFAOYSA-N
MW357.09 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate

methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate (PubChem CID 133102106) has the molecular formula C10H10F2INO3 and a molecular weight of 357.09 g/mol. Its IUPAC name is methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate
PubChem CID133102106
Molecular FormulaC10H10F2INO3
Molecular Weight357.09 g/mol
Exact Mass356.97
IUPAC Namemethyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(I)c(OC)c(C(F)F)n1
InChIInChI=1S/C10H10F2INO3/c1-16-7(15)4-5-3-6(13)9(17-2)8(14-5)10(11)12/h3,10H,4H2,1-2H3
InChIKeyMWVRYAXARFNICP-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

[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]methanamine
CID 130085511
methyl 2-[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134663513
methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134684328
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119
methyl 2-[5-amino-4-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133088393
2-[6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 133085230
methyl 2-[6-bromo-4-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134685061
methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134684119
methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102111
methyl 2-[2-(difluoromethyl)-6-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102034
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134675626
ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134685508

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate (CID 133102106) is methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate is COC(=O)Cc1cc(I)c(OC)c(C(F)F)n1.
What is the InChIKey of methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate?
The InChIKey is MWVRYAXARFNICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO3/c1-16-7(15)4-5-3-6(13)9(17-2)8(14-5)10(11)12/h3,10H,4H2,1-2H3.
What are the key properties of methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate?
methyl 2-[6-(difluoromethyl)-4-iodo-5-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)-4-iodo-5-methoxy-2-pyridinyl]acetate is sourced from PubChem (CID 133102106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).