methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate

C9H7Cl2F2NO2 — CID 134683841

IUPACmethyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(Cl)c(C(F)F)c1Cl
InChIInChI=1S/C9H7Cl2F2NO2/c1-16-6(15)2-5-8(11)7(9(12)13)4(10)3-14-5/h3,9H,2H2,1H3
InChIKeyKOUPSSAGTMNDFY-UHFFFAOYSA-N
MW270.06 g/mol
LogP3.04
Rot. Bonds3

About methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate

methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134683841) has the molecular formula C9H7Cl2F2NO2 and a molecular weight of 270.06 g/mol. Its IUPAC name is methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134683841
Molecular FormulaC9H7Cl2F2NO2
Molecular Weight270.06 g/mol
Exact Mass268.98
IUPAC Namemethyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(Cl)c(C(F)F)c1Cl
InChIInChI=1S/C9H7Cl2F2NO2/c1-16-6(15)2-5-8(11)7(9(12)13)4(10)3-14-5/h3,9H,2H2,1H3
InChIKeyKOUPSSAGTMNDFY-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134675139
methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134674119
methyl 2-[4-chloro-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetate
CID 134684486
ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134667668
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133099014
methyl 2-[6-bromo-4-chloro-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134673608
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101974
methyl 2-[3-(difluoromethyl)-4-fluoro-5-methoxy-2-pyridinyl]acetate
CID 133105586
methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134669289
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
methyl 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 133088543
methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134676457

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate (CID 134683841) is methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1ncc(Cl)c(C(F)F)c1Cl.
What is the InChIKey of methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is KOUPSSAGTMNDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F2NO2/c1-16-6(15)2-5-8(11)7(9(12)13)4(10)3-14-5/h3,9H,2H2,1H3.
What are the key properties of methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 270.06 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134683841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).