ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate

C11H12ClF2NO2 — CID 134667668

IUPACethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(C)c(C(F)F)c1Cl
InChIInChI=1S/C11H12ClF2NO2/c1-3-17-8(16)4-7-10(12)9(11(13)14)6(2)5-15-7/h5,11H,3-4H2,1-2H3
InChIKeyMBMSGICGWLUMQU-UHFFFAOYSA-N
MW263.67 g/mol
LogP3.09
Rot. Bonds4

About ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate

ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate (PubChem CID 134667668) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
PubChem CID134667668
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Nameethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(C)c(C(F)F)c1Cl
InChIInChI=1S/C11H12ClF2NO2/c1-3-17-8(16)4-7-10(12)9(11(13)14)6(2)5-15-7/h5,11H,3-4H2,1-2H3
InChIKeyMBMSGICGWLUMQU-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

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Related Compounds

ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate
CID 133101258
ethyl 2-[4-(difluoromethyl)-5-methyl-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029305
ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134677641
ethyl 2-[6-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134672130
ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
CID 133088380
ethyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetate
CID 133101946
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841
ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134683899
ethyl 2-[4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133085357
ethyl 2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676981
ethyl 2-[4-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674429
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134670432

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate (CID 134667668) is ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate is CCOC(=O)Cc1ncc(C)c(C(F)F)c1Cl.
What is the InChIKey of ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate?
The InChIKey is MBMSGICGWLUMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-3-17-8(16)4-7-10(12)9(11(13)14)6(2)5-15-7/h5,11H,3-4H2,1-2H3.
What are the key properties of ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate?
ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-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-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 134667668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).