ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate

C11H12ClF2NO3 — CID 134674935

IUPACethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)nc(Cl)c1OC
InChIInChI=1S/C11H12ClF2NO3/c1-3-18-8(16)5-6-4-7(11(13)14)15-10(12)9(6)17-2/h4,11H,3,5H2,1-2H3
InChIKeyPJQVNUWFOPEBBF-UHFFFAOYSA-N
MW279.67 g/mol
LogP2.79
Rot. Bonds5

About ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate

ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate (PubChem CID 134674935) has the molecular formula C11H12ClF2NO3 and a molecular weight of 279.67 g/mol. Its IUPAC name is ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
PubChem CID134674935
Molecular FormulaC11H12ClF2NO3
Molecular Weight279.67 g/mol
Exact Mass279.05
IUPAC Nameethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)nc(Cl)c1OC
InChIInChI=1S/C11H12ClF2NO3/c1-3-18-8(16)5-6-4-7(11(13)14)15-10(12)9(6)17-2/h4,11H,3,5H2,1-2H3
InChIKeyPJQVNUWFOPEBBF-UHFFFAOYSA-N
XLogP2.79
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(bromomethyl)-3-chloro-6-(difluoromethyl)-4-pyridinyl]acetate
CID 134674555
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate
CID 133085366
2-chloro-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119002941
ethyl 2-[6-chloro-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134669651
ethyl 2-[4-cyano-6-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 133107798
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-[6-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677365
ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
CID 134674085
ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134684145
ethyl 2-[6-(difluoromethyl)-2-fluoro-4-methoxy-3-pyridinyl]acetate
CID 133105470
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664307

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate (CID 134674935) is ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)nc(Cl)c1OC.
What is the InChIKey of ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate?
The InChIKey is PJQVNUWFOPEBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO3/c1-3-18-8(16)5-6-4-7(11(13)14)15-10(12)9(6)17-2/h4,11H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate?
ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate has a molecular weight of 279.67 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate is sourced from PubChem (CID 134674935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).