methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate

C10H9ClF3NO2 — CID 133104098

IUPACmethyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(CCl)c(C(F)F)c1F
InChIInChI=1S/C10H9ClF3NO2/c1-17-7(16)2-5-4-15-6(3-11)8(9(5)12)10(13)14/h4,10H,2-3H2,1H3
InChIKeyJASDDJMYMHAMIF-UHFFFAOYSA-N
MW267.63 g/mol
LogP2.61
Rot. Bonds4

About methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate

methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate (PubChem CID 133104098) has the molecular formula C10H9ClF3NO2 and a molecular weight of 267.63 g/mol. Its IUPAC name is methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
PubChem CID133104098
Molecular FormulaC10H9ClF3NO2
Molecular Weight267.63 g/mol
Exact Mass267.03
IUPAC Namemethyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(CCl)c(C(F)F)c1F
InChIInChI=1S/C10H9ClF3NO2/c1-17-7(16)2-5-4-15-6(3-11)8(9(5)12)10(13)14/h4,10H,2-3H2,1H3
InChIKeyJASDDJMYMHAMIF-UHFFFAOYSA-N
XLogP2.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.63
LogP ≤ 52.61
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

methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101974
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750
methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134675139
methyl 2-[3-(difluoromethyl)-4-fluoro-5-methoxy-2-pyridinyl]acetate
CID 133105586
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133099014
methyl 2-[6-amino-5-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134677170
methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134669289
methyl 2-[3-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134666514
methyl 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133103864
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841
methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134675623

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate (CID 133104098) is methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate is COC(=O)Cc1cnc(CCl)c(C(F)F)c1F.
What is the InChIKey of methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate?
The InChIKey is JASDDJMYMHAMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO2/c1-17-7(16)2-5-4-15-6(3-11)8(9(5)12)10(13)14/h4,10H,2-3H2,1H3.
What are the key properties of methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate?
methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate has a molecular weight of 267.63 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate is sourced from PubChem (CID 133104098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).