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

C11H12ClF2NO2 — CID 134674976

IUPACethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)cc(C)nc1Cl
InChIInChI=1S/C11H12ClF2NO2/c1-3-17-9(16)5-7-8(11(13)14)4-6(2)15-10(7)12/h4,11H,3,5H2,1-2H3
InChIKeyNNOQBKMANMWHDJ-UHFFFAOYSA-N
MW263.67 g/mol
LogP3.09
Rot. Bonds4

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

ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate (PubChem CID 134674976) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
PubChem CID134674976
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Nameethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)cc(C)nc1Cl
InChIInChI=1S/C11H12ClF2NO2/c1-3-17-9(16)5-7-8(11(13)14)4-6(2)15-10(7)12/h4,11H,3,5H2,1-2H3
InChIKeyNNOQBKMANMWHDJ-UHFFFAOYSA-N
XLogP3.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-chloro-4-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134661969
ethyl 2-[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]acetate
CID 133104810
ethyl 2-[4-(difluoromethyl)-6-methyl-2-nitro-3-pyridinyl]acetate
CID 133098653
ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088379
ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134684738
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate
CID 134669228
ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
CID 134674085
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
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methylpyridine
CID 119013902
ethyl 2-[2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101084

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate (CID 134674976) is ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate is CCOC(=O)Cc1c(C(F)F)cc(C)nc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate?
The InChIKey is NNOQBKMANMWHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-3-17-9(16)5-7-8(11(13)14)4-6(2)15-10(7)12/h4,11H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate?
ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate has a molecular weight of 263.67 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate is sourced from PubChem (CID 134674976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).