ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate

C10H10ClF2NO2 — CID 133088380

IUPACethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(Cl)cc1C(F)F
InChIInChI=1S/C10H10ClF2NO2/c1-2-16-9(15)4-8-7(10(12)13)3-6(11)5-14-8/h3,5,10H,2,4H2,1H3
InChIKeyFMMRPRDNZLYATR-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.78
Rot. Bonds4

About ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate

ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 133088380) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID133088380
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Nameethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(Cl)cc1C(F)F
InChIInChI=1S/C10H10ClF2NO2/c1-2-16-9(15)4-8-7(10(12)13)3-6(11)5-14-8/h3,5,10H,2,4H2,1H3
InChIKeyFMMRPRDNZLYATR-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

Analyze ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate 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

ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134669264
ethyl 2-[3-amino-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134671268
ethyl 2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134673847
ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134667668
ethyl 2-[3-(chloromethyl)-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 133101094
ethyl 2-[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134685366
ethyl 2-[4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134670668
ethyl 2-[5-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102073
ethyl 2-[2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133104197
ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134677641
ethyl 2-[6-chloro-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134669651
ethyl 2-[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134662548

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate (CID 133088380) is ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1ncc(Cl)cc1C(F)F.
What is the InChIKey of ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is FMMRPRDNZLYATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-2-16-9(15)4-8-7(10(12)13)3-6(11)5-14-8/h3,5,10H,2,4H2,1H3.
What are the key properties of ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[5-chloro-3-(difluoromethyl)-2-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-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 133088380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).