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

C9H8ClF2NO2 — CID 133088360

IUPACmethyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(Cl)cn1
InChIInChI=1S/C9H8ClF2NO2/c1-15-8(14)3-5-2-6(9(11)12)7(10)4-13-5/h2,4,9H,3H2,1H3
InChIKeyVPNYGRHTEVJFCE-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.39
Rot. Bonds3

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

methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 133088360) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID133088360
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Namemethyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(Cl)cn1
InChIInChI=1S/C9H8ClF2NO2/c1-15-8(14)3-5-2-6(9(11)12)7(10)4-13-5/h2,4,9H,3H2,1H3
InChIKeyVPNYGRHTEVJFCE-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

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Related Compounds

2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130095685
methyl 2-[5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133097673
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 130098456
methyl 2-[5-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134673326
methyl 2-[6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088361
methyl 2-[5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 133088543
methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674202
methyl 2-[2-(aminomethyl)-3-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134663917
methyl 2-[4-(difluoromethyl)-5-fluoro-6-nitro-2-pyridinyl]acetate
CID 133104656
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate (CID 133088360) is methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1cc(C(F)F)c(Cl)cn1.
What is the InChIKey of methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is VPNYGRHTEVJFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-15-8(14)3-5-2-6(9(11)12)7(10)4-13-5/h2,4,9H,3H2,1H3.
What are the key properties of methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate 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 methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 133088360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).