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

C9H9F2IN2O2 — CID 134676457

IUPACmethyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(I)c(N)c1C(F)F
InChIInChI=1S/C9H9F2IN2O2/c1-16-6(15)2-5-7(9(10)11)8(13)4(12)3-14-5/h3,9H,2H2,1H3,(H2,13,14)
InChIKeyQDOCEVDYJWGGHY-UHFFFAOYSA-N
MW342.08 g/mol
LogP1.92
Rot. Bonds3

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

methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate (PubChem CID 134676457) has the molecular formula C9H9F2IN2O2 and a molecular weight of 342.08 g/mol. Its IUPAC name is methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
PubChem CID134676457
Molecular FormulaC9H9F2IN2O2
Molecular Weight342.08 g/mol
Exact Mass341.97
IUPAC Namemethyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(I)c(N)c1C(F)F
InChIInChI=1S/C9H9F2IN2O2/c1-16-6(15)2-5-7(9(10)11)8(13)4(12)3-14-5/h3,9H,2H2,1H3,(H2,13,14)
InChIKeyQDOCEVDYJWGGHY-UHFFFAOYSA-N
XLogP1.92
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.08
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134669289
methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134669740
methyl 2-[3-(difluoromethyl)-4-fluoro-5-methoxy-2-pyridinyl]acetate
CID 133105586
ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate
CID 133101258
methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133087324
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841
methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134673522
methyl 2-[3-amino-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134683210
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101974
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086983
methyl 2-[3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133100816

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate (CID 134676457) is methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate is COC(=O)Cc1ncc(I)c(N)c1C(F)F.
What is the InChIKey of methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate?
The InChIKey is QDOCEVDYJWGGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2IN2O2/c1-16-6(15)2-5-7(9(10)11)8(13)4(12)3-14-5/h3,9H,2H2,1H3,(H2,13,14).
What are the key properties of methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate?
methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate has a molecular weight of 342.08 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate is sourced from PubChem (CID 134676457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).