methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate

C10H7BrF5NO2 — CID 134674876

IUPACmethyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)(F)F)cc(C(F)F)c1Br
InChIInChI=1S/C10H7BrF5NO2/c1-19-7(18)3-5-8(11)4(9(12)13)2-6(17-5)10(14,15)16/h2,9H,3H2,1H3
InChIKeyUMAJZHLTKZCZOI-UHFFFAOYSA-N
MW348.07 g/mol
LogP3.52
Rot. Bonds3

About methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate

methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 134674876) has the molecular formula C10H7BrF5NO2 and a molecular weight of 348.07 g/mol. Its IUPAC name is methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID134674876
Molecular FormulaC10H7BrF5NO2
Molecular Weight348.07 g/mol
Exact Mass346.96
IUPAC Namemethyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)(F)F)cc(C(F)F)c1Br
InChIInChI=1S/C10H7BrF5NO2/c1-19-7(18)3-5-8(11)4(9(12)13)2-6(17-5)10(14,15)16/h2,9H,3H2,1H3
InChIKeyUMAJZHLTKZCZOI-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.07
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134675923
methyl 2-[4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029773
methyl 2-bromo-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134674827
methyl 2-[3-(difluoromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029249
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134674702
methyl 2-[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134670856
methyl 2-[3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086990
methyl 2-[4-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134667633
methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133099465
methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134671182
methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134669255
methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 134666003

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate (CID 134674876) is methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(C(F)(F)F)cc(C(F)F)c1Br.
What is the InChIKey of methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is UMAJZHLTKZCZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF5NO2/c1-19-7(18)3-5-8(11)4(9(12)13)2-6(17-5)10(14,15)16/h2,9H,3H2,1H3.
What are the key properties of methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 348.07 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134674876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).