methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate

C10H10F2INO3 — CID 133102111

IUPACmethyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(OC)c(C(F)F)nc1I
InChIInChI=1S/C10H10F2INO3/c1-16-6-3-5(4-7(15)17-2)10(13)14-8(6)9(11)12/h3,9H,4H2,1-2H3
InChIKeyDBHAXHFWQOJBDX-UHFFFAOYSA-N
MW357.09 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate

methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate (PubChem CID 133102111) has the molecular formula C10H10F2INO3 and a molecular weight of 357.09 g/mol. Its IUPAC name is methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
PubChem CID133102111
Molecular FormulaC10H10F2INO3
Molecular Weight357.09 g/mol
Exact Mass356.97
IUPAC Namemethyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(OC)c(C(F)F)nc1I
InChIInChI=1S/C10H10F2INO3/c1-16-6-3-5(4-7(15)17-2)10(13)14-8(6)9(11)12/h3,9H,4H2,1-2H3
InChIKeyDBHAXHFWQOJBDX-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(difluoromethyl)-6-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102034
[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
CID 130085543
methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101263
methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate
CID 133100381
methyl 2-[5-(difluoromethyl)-2-iodo-6-methyl-3-pyridinyl]acetate
CID 133101939
methyl 2-[5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100717
methyl 2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681738
methyl 2-[2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134668549
methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102109
2-[6-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118820536
methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate
CID 133102106
methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681746

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate (CID 133102111) is methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate is COC(=O)Cc1cc(OC)c(C(F)F)nc1I.
What is the InChIKey of methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate?
The InChIKey is DBHAXHFWQOJBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO3/c1-16-6-3-5(4-7(15)17-2)10(13)14-8(6)9(11)12/h3,9H,4H2,1-2H3.
What are the key properties of methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate?
methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-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)-2-iodo-5-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 133102111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).