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

C10H10ClF2NO2 — CID 134672127

IUPACmethyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(Cl)cnc(C(F)F)c1C
InChIInChI=1S/C10H10ClF2NO2/c1-5-6(3-8(15)16-2)7(11)4-14-9(5)10(12)13/h4,10H,3H2,1-2H3
InChIKeyOLDRYBWOHNEADB-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.70
Rot. Bonds3

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

methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate (PubChem CID 134672127) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
PubChem CID134672127
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Namemethyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(Cl)cnc(C(F)F)c1C
InChIInChI=1S/C10H10ClF2NO2/c1-5-6(3-8(15)16-2)7(11)4-14-9(5)10(12)13/h4,10H,3H2,1-2H3
InChIKeyOLDRYBWOHNEADB-UHFFFAOYSA-N
XLogP2.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029542
[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 130074320
methyl 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 133088543
ethyl 2-[3-(bromomethyl)-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134686476
methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134675139
methyl 2-[3-chloro-2-(difluoromethyl)-5-nitro-4-pyridinyl]acetate
CID 134674401
methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate
CID 155467042
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119
methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133093498
methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133088360
methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134683940

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate (CID 134672127) is methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate is COC(=O)Cc1c(Cl)cnc(C(F)F)c1C.
What is the InChIKey of methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
The InChIKey is OLDRYBWOHNEADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-5-6(3-8(15)16-2)7(11)4-14-9(5)10(12)13/h4,10H,3H2,1-2H3.
What are the key properties of methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate?
methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate has a molecular weight of 249.64 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate is sourced from PubChem (CID 134672127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).