ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate

C10H9F4NO2 — CID 134669228

IUPACethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)cc(F)nc1F
InChIInChI=1S/C10H9F4NO2/c1-2-17-8(16)4-6-5(9(12)13)3-7(11)15-10(6)14/h3,9H,2,4H2,1H3
InChIKeyCPXFESQPZFBOPD-UHFFFAOYSA-N
MW251.18 g/mol
LogP2.40
Rot. Bonds4

About ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate

ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate (PubChem CID 134669228) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate
PubChem CID134669228
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC Nameethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)cc(F)nc1F
InChIInChI=1S/C10H9F4NO2/c1-2-17-8(16)4-6-5(9(12)13)3-7(11)15-10(6)14/h3,9H,2,4H2,1H3
InChIKeyCPXFESQPZFBOPD-UHFFFAOYSA-N
XLogP2.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.40
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-[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]acetate
CID 133104810
ethyl 2-[2-chloro-4-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134661969
ethyl 2-[4-(difluoromethyl)-2-fluoro-6-nitro-3-pyridinyl]acetate
CID 133104916
ethyl 2-[3-(bromomethyl)-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 133104435
ethyl 2-[6-amino-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134684743
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
ethyl 2-[5-(difluoromethyl)-2-fluoro-6-iodo-3-pyridinyl]acetate
CID 133105380
ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 134674976
ethyl 2-[5-(difluoromethyl)-2-fluoro-3-hydroxy-4-pyridinyl]acetate
CID 133105936
ethyl 2-[6-(difluoromethyl)-2-fluoro-4-methoxy-3-pyridinyl]acetate
CID 133105470
ethyl 2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetate
CID 134661756
ethyl 2-[4-(difluoromethyl)-6-methyl-2-nitro-3-pyridinyl]acetate
CID 133098653

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate (CID 134669228) is ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate is CCOC(=O)Cc1c(C(F)F)cc(F)nc1F.
What is the InChIKey of ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate?
The InChIKey is CPXFESQPZFBOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-2-17-8(16)4-6-5(9(12)13)3-7(11)15-10(6)14/h3,9H,2,4H2,1H3.
What are the key properties of ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate?
ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate has a molecular weight of 251.18 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate is sourced from PubChem (CID 134669228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).