ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate

C11H12ClF2NO2 — CID 134673525

IUPACethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(C(F)F)ccc1CCl
InChIInChI=1S/C11H12ClF2NO2/c1-2-17-10(16)5-9-7(6-12)3-4-8(15-9)11(13)14/h3-4,11H,2,5-6H2,1H3
InChIKeyUKZTZUVAVPXNPN-UHFFFAOYSA-N
MW263.67 g/mol
LogP2.86
Rot. Bonds5

About ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate

ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134673525) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134673525
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Nameethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(C(F)F)ccc1CCl
InChIInChI=1S/C11H12ClF2NO2/c1-2-17-10(16)5-9-7(6-12)3-4-8(15-9)11(13)14/h3-4,11H,2,5-6H2,1H3
InChIKeyUKZTZUVAVPXNPN-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 133100264
ethyl 2-[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134685817
ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672936
ethyl 2-[3-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134674966
ethyl 2-[4-amino-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683959
ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134659310
ethyl 2-[5-(chloromethyl)-6-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 133099778
ethyl 2-[2-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671836
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine
CID 130097601
methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 171029438
ethyl 2-[2-chloro-5-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674403
ethyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetate
CID 133101946

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate (CID 134673525) is ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1nc(C(F)F)ccc1CCl.
What is the InChIKey of ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is UKZTZUVAVPXNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-2-17-10(16)5-9-7(6-12)3-4-8(15-9)11(13)14/h3-4,11H,2,5-6H2,1H3.
What are the key properties of ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 263.67 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134673525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).