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

C10H10F2INO2 — CID 133101934

IUPACmethyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(I)ncc(C)c1C(F)F
InChIInChI=1S/C10H10F2INO2/c1-5-4-14-10(13)6(3-7(15)16-2)8(5)9(11)12/h4,9H,3H2,1-2H3
InChIKeyUPXDGXVBVWCRIM-UHFFFAOYSA-N
MW341.10 g/mol
LogP2.65
Rot. Bonds3

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

methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate (PubChem CID 133101934) has the molecular formula C10H10F2INO2 and a molecular weight of 341.10 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate
PubChem CID133101934
Molecular FormulaC10H10F2INO2
Molecular Weight341.10 g/mol
Exact Mass340.97
IUPAC Namemethyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(I)ncc(C)c1C(F)F
InChIInChI=1S/C10H10F2INO2/c1-5-4-14-10(13)6(3-7(15)16-2)8(5)9(11)12/h4,9H,3H2,1-2H3
InChIKeyUPXDGXVBVWCRIM-UHFFFAOYSA-N
XLogP2.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.10
LogP ≤ 52.65
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-[4-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
CID 133101449
methyl 2-[5-(difluoromethyl)-2,3-diiodo-4-pyridinyl]acetate
CID 134668582
methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134673899
ethyl 2-[5-bromo-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134673724
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961
methyl 2-[2-bromo-5-(difluoromethyl)-4-iodo-3-pyridinyl]acetate
CID 134685063
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-[3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133100816
methyl 2-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695
methyl 2-[5-(difluoromethyl)-6-iodo-4-nitro-3-pyridinyl]acetate
CID 133101538
methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134672127

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate (CID 133101934) is methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate is COC(=O)Cc1c(I)ncc(C)c1C(F)F.
What is the InChIKey of methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate?
The InChIKey is UPXDGXVBVWCRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO2/c1-5-4-14-10(13)6(3-7(15)16-2)8(5)9(11)12/h4,9H,3H2,1-2H3.
What are the key properties of methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate?
methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate has a molecular weight of 341.10 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate is sourced from PubChem (CID 133101934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).