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

C9H9F2IN2O2 — CID 134660886

IUPACmethyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(N)c1I
InChIInChI=1S/C9H9F2IN2O2/c1-16-7(15)3-5-8(12)4(13)2-6(14-5)9(10)11/h2,9H,3H2,1H3,(H2,13,14)
InChIKeyDKBQRAIXSXUTDC-UHFFFAOYSA-N
MW342.08 g/mol
LogP1.92
Rot. Bonds3

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

methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate (PubChem CID 134660886) has the molecular formula C9H9F2IN2O2 and a molecular weight of 342.08 g/mol. Its IUPAC name is methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
PubChem CID134660886
Molecular FormulaC9H9F2IN2O2
Molecular Weight342.08 g/mol
Exact Mass341.97
IUPAC Namemethyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(N)c1I
InChIInChI=1S/C9H9F2IN2O2/c1-16-7(15)3-5-8(12)4(13)2-6(14-5)9(10)11/h2,9H,3H2,1H3,(H2,13,14)
InChIKeyDKBQRAIXSXUTDC-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-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102109
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 133104847
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 133084326
methyl 2-[3-amino-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134683210
methyl 2-[4-amino-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134683257
methyl 2-[3-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134686434
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133084710
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704
methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
CID 134684404
methyl 2-[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134670856
methyl 2-[3-amino-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 134677475
ethyl 2-[4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 133100264

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate (CID 134660886) is methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate is COC(=O)Cc1nc(C(F)F)cc(N)c1I.
What is the InChIKey of methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate?
The InChIKey is DKBQRAIXSXUTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2IN2O2/c1-16-7(15)3-5-8(12)4(13)2-6(14-5)9(10)11/h2,9H,3H2,1H3,(H2,13,14).
What are the key properties of methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate?
methyl 2-[4-amino-6-(difluoromethyl)-3-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-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate is sourced from PubChem (CID 134660886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).