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

C10H9Cl2F2NO2 — CID 134675139

IUPACmethyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(CCl)ncc(Cl)c1C(F)F
InChIInChI=1S/C10H9Cl2F2NO2/c1-17-8(16)2-5-7(3-11)15-4-6(12)9(5)10(13)14/h4,10H,2-3H2,1H3
InChIKeyJUPGURBTOJGUOL-UHFFFAOYSA-N
MW284.09 g/mol
LogP3.13
Rot. Bonds4

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

methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134675139) has the molecular formula C10H9Cl2F2NO2 and a molecular weight of 284.09 g/mol. Its IUPAC name is methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134675139
Molecular FormulaC10H9Cl2F2NO2
Molecular Weight284.09 g/mol
Exact Mass283.00
IUPAC Namemethyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(CCl)ncc(Cl)c1C(F)F
InChIInChI=1S/C10H9Cl2F2NO2/c1-17-8(16)2-5-7(3-11)15-4-6(12)9(5)10(13)14/h4,10H,2-3H2,1H3
InChIKeyJUPGURBTOJGUOL-UHFFFAOYSA-N
XLogP3.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130075781
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101974
methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104098
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133099014
ethyl 2-[2-(chloromethyl)-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104193
methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134674119
methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134672127
methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029542
methyl 2-[2-(aminomethyl)-3-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134663917
methyl 2-[5-bromo-2-chloro-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134684094
methyl 2-[3,5-dichloro-2-(hydroxymethyl)-4-pyridinyl]acetate
CID 155467042

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate (CID 134675139) is methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1c(CCl)ncc(Cl)c1C(F)F.
What is the InChIKey of methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is JUPGURBTOJGUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F2NO2/c1-17-8(16)2-5-7(3-11)15-4-6(12)9(5)10(13)14/h4,10H,2-3H2,1H3.
What are the key properties of methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate?
methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 284.09 g/mol, XLogP of 3.13, 4 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-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134675139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).