ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate

C10H11F2IN2O2 — CID 134684588

IUPACethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(N)c(I)n1
InChIInChI=1S/C10H11F2IN2O2/c1-2-17-7(16)4-5-3-6(9(11)12)8(14)10(13)15-5/h3,9H,2,4,14H2,1H3
InChIKeyQKGLTZJMOUUWDE-UHFFFAOYSA-N
MW356.11 g/mol
LogP2.31
Rot. Bonds4

About ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate

ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate (PubChem CID 134684588) has the molecular formula C10H11F2IN2O2 and a molecular weight of 356.11 g/mol. Its IUPAC name is ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
PubChem CID134684588
Molecular FormulaC10H11F2IN2O2
Molecular Weight356.11 g/mol
Exact Mass355.98
IUPAC Nameethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(N)c(I)n1
InChIInChI=1S/C10H11F2IN2O2/c1-2-17-7(16)4-5-3-6(9(11)12)8(14)10(13)15-5/h3,9H,2,4,14H2,1H3
InChIKeyQKGLTZJMOUUWDE-UHFFFAOYSA-N
XLogP2.31
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.11
LogP ≤ 52.31
H-Bond Donors ≤ 51
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

ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
CID 133101348
ethyl 2-[5-(difluoromethyl)-2-fluoro-6-iodo-3-pyridinyl]acetate
CID 133105380
ethyl 2-[6-amino-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134684743
ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134675410
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 133100722
ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134686052
ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134685508
ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 171029621
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 134683250
methyl 2-[5-amino-6-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134684597
ethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134685014
ethyl 2-[5-(chloromethyl)-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 133100969

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate (CID 134684588) is ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)c(N)c(I)n1.
What is the InChIKey of ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate?
The InChIKey is QKGLTZJMOUUWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2IN2O2/c1-2-17-7(16)4-5-3-6(9(11)12)8(14)10(13)15-5/h3,9H,2,4,14H2,1H3.
What are the key properties of ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate?
ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate has a molecular weight of 356.11 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate is sourced from PubChem (CID 134684588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).