ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate

C9H8ClF2NO2 — CID 71143679

IUPACethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cc(Cl)ccn1
InChIInChI=1S/C9H8ClF2NO2/c1-2-15-8(14)9(11,12)7-5-6(10)3-4-13-7/h3-5H,2H2,1H3
InChIKeyKPEAVVIQMZYTNY-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.39
Rot. Bonds3

About ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate

ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate (PubChem CID 71143679) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate
PubChem CID71143679
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Nameethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1cc(Cl)ccn1
InChIInChI=1S/C9H8ClF2NO2/c1-2-15-8(14)9(11,12)7-5-6(10)3-4-13-7/h3-5H,2H2,1H3
InChIKeyKPEAVVIQMZYTNY-UHFFFAOYSA-N
XLogP2.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate
CID 24828891
ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate
CID 118647040
ethyl 2,2-difluoro-2-(2-fluoro-4-pyridinyl)acetate
CID 170947614
ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate
CID 88573880
ethyl 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroacetate
CID 114732688
ethyl 3-(4-chloro-2-pyridinyl)-3-oxopropanoate
CID 53404617
ethyl 2-cyano-2-[4-(trifluoromethyl)-2-pyridinyl]propanoate
CID 104572310
ethyl 2,2-difluoro-2-(3-pyrimidin-2-ylphenyl)acetate
CID 162398710
ethyl 2-(2,4-dichloropyrimidin-5-yl)-2,2-difluoroacetate
CID 163409906
ethyl 2-[(4-chloro-2-pyridinyl)sulfanyl]acetate
CID 71304250
ethyl 2-[4-[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2-difluoroacetate
CID 58543748
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate (CID 71143679) is ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1cc(Cl)ccn1.
What is the InChIKey of ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate?
The InChIKey is KPEAVVIQMZYTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-2-15-8(14)9(11,12)7-5-6(10)3-4-13-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate?
ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate has a molecular weight of 235.62 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate is sourced from PubChem (CID 71143679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).