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

C10H9Br2F2NO2 — CID 134676136

IUPACmethyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(Br)cc(CBr)nc1C(F)F
InChIInChI=1S/C10H9Br2F2NO2/c1-17-8(16)3-6-7(12)2-5(4-11)15-9(6)10(13)14/h2,10H,3-4H2,1H3
InChIKeyUFQAJOULDCRBPC-UHFFFAOYSA-N
MW372.99 g/mol
LogP3.39
Rot. Bonds4

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

methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134676136) has the molecular formula C10H9Br2F2NO2 and a molecular weight of 372.99 g/mol. Its IUPAC name is methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134676136
Molecular FormulaC10H9Br2F2NO2
Molecular Weight372.99 g/mol
Exact Mass370.90
IUPAC Namemethyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(Br)cc(CBr)nc1C(F)F
InChIInChI=1S/C10H9Br2F2NO2/c1-17-8(16)3-6-7(12)2-5(4-11)15-9(6)10(13)14/h2,10H,3-4H2,1H3
InChIKeyUFQAJOULDCRBPC-UHFFFAOYSA-N
XLogP3.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.99
LogP ≤ 53.39
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

ethyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134684376
methyl 2-[4-bromo-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134673667
methyl 2-[4-bromo-6-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685357
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104358
methyl 2-[3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 133100621
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134674702
methyl 2-[6-(bromomethyl)-3-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 133100544
methyl 2-[5-bromo-6-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 134683882
methyl 2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134667557
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119
methyl 2-[5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671507
ethyl 2-[3-bromo-6-(bromomethyl)-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134684386

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate (CID 134676136) is methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1c(Br)cc(CBr)nc1C(F)F.
What is the InChIKey of methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is UFQAJOULDCRBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F2NO2/c1-17-8(16)3-6-7(12)2-5(4-11)15-9(6)10(13)14/h2,10H,3-4H2,1H3.
What are the key properties of methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate?
methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 372.99 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134676136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).