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

C10H9ClF2INO2 — CID 134685508

IUPACethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(I)c(Cl)c(C(F)F)n1
InChIInChI=1S/C10H9ClF2INO2/c1-2-17-7(16)4-5-3-6(14)8(11)9(15-5)10(12)13/h3,10H,2,4H2,1H3
InChIKeyHENLCRPFFGLSSP-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.38
Rot. Bonds4

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

ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate (PubChem CID 134685508) has the molecular formula C10H9ClF2INO2 and a molecular weight of 375.54 g/mol. Its IUPAC name is ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
PubChem CID134685508
Molecular FormulaC10H9ClF2INO2
Molecular Weight375.54 g/mol
Exact Mass374.93
IUPAC Nameethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(I)c(Cl)c(C(F)F)n1
InChIInChI=1S/C10H9ClF2INO2/c1-2-17-7(16)4-5-3-6(14)8(11)9(15-5)10(12)13/h3,10H,2,4H2,1H3
InChIKeyHENLCRPFFGLSSP-UHFFFAOYSA-N
XLogP3.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[5-(chloromethyl)-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 133100969
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 133100722
ethyl 2-[5-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134686470
ethyl 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetate
CID 133100905
ethyl 2-[4-chloro-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134663801
ethyl 2-[5-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134686113
ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
CID 133101348
ethyl 2-[4-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134673677
ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134684588
ethyl 2-[4-(bromomethyl)-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 133104625
ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134675410
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073205

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate (CID 134685508) is ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate is CCOC(=O)Cc1cc(I)c(Cl)c(C(F)F)n1.
What is the InChIKey of ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate?
The InChIKey is HENLCRPFFGLSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2INO2/c1-2-17-7(16)4-5-3-6(14)8(11)9(15-5)10(12)13/h3,10H,2,4H2,1H3.
What are the key properties of ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate?
ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate has a molecular weight of 375.54 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate is sourced from PubChem (CID 134685508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).