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

C10H7F6NO2 — CID 133104001

IUPACmethyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)(F)F)c(C(F)F)nc1F
InChIInChI=1S/C10H7F6NO2/c1-19-6(18)3-4-2-5(10(14,15)16)7(8(11)12)17-9(4)13/h2,8H,3H2,1H3
InChIKeyQBLDJAMLWFDNKQ-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.89
Rot. Bonds3

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

methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate (PubChem CID 133104001) has the molecular formula C10H7F6NO2 and a molecular weight of 287.16 g/mol. Its IUPAC name is methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
PubChem CID133104001
Molecular FormulaC10H7F6NO2
Molecular Weight287.16 g/mol
Exact Mass287.04
IUPAC Namemethyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)(F)F)c(C(F)F)nc1F
InChIInChI=1S/C10H7F6NO2/c1-19-6(18)3-4-2-5(10(14,15)16)7(8(11)12)17-9(4)13/h2,8H,3H2,1H3
InChIKeyQBLDJAMLWFDNKQ-UHFFFAOYSA-N
XLogP2.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-bromo-6-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 134683882
methyl 2-[6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133100114
methyl 2-[3-amino-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 134677475
methyl 2-[3-cyano-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133106301
methyl 2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133104038
methyl 2-[3-(difluoromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029249
methyl 2-[6-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100111
methyl 2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100700
methyl 2-[6-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134671583
6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)pyridin-3-ol
CID 133106260
ethyl 2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetate
CID 134661756
methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134666504

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate (CID 133104001) is methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cc(C(F)(F)F)c(C(F)F)nc1F.
What is the InChIKey of methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate?
The InChIKey is QBLDJAMLWFDNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO2/c1-19-6(18)3-4-2-5(10(14,15)16)7(8(11)12)17-9(4)13/h2,8H,3H2,1H3.
What are the key properties of methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate?
methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate has a molecular weight of 287.16 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 133104001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).