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

C10H10ClF2NO2 — CID 133088379

IUPACethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)ccnc1Cl
InChIInChI=1S/C10H10ClF2NO2/c1-2-16-8(15)5-7-6(10(12)13)3-4-14-9(7)11/h3-4,10H,2,5H2,1H3
InChIKeyHNHQJLQYMJQPCQ-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.78
Rot. Bonds4

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

ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 133088379) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID133088379
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Nameethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)ccnc1Cl
InChIInChI=1S/C10H10ClF2NO2/c1-2-16-8(15)5-7-6(10(12)13)3-4-14-9(7)11/h3-4,10H,2,5H2,1H3
InChIKeyHNHQJLQYMJQPCQ-UHFFFAOYSA-N
XLogP2.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.78
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-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029498
ethyl 2-[2-chloro-4-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134661969
ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 134674976
ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134673374
ethyl 2-[4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 133090947
ethyl 2-[3-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 134662366
ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate
CID 133088342
ethyl 2-[5-(difluoromethyl)-2-fluoro-3-hydroxy-4-pyridinyl]acetate
CID 133105936
ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
CID 134675939
ethyl 2-[4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093259
ethyl 2-[4-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674429
ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
CID 134674085

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate (CID 133088379) is ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1c(C(F)F)ccnc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is HNHQJLQYMJQPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-2-16-8(15)5-7-6(10(12)13)3-4-14-9(7)11/h3-4,10H,2,5H2,1H3.
What are the key properties of ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 249.64 g/mol, XLogP of 2.78, 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)-3-pyridinyl]acetate is sourced from PubChem (CID 133088379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).