methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate

C10H9Br2F2NO2 — CID 134674702

IUPACmethyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(CBr)c(C(F)F)cc1Br
InChIInChI=1S/C10H9Br2F2NO2/c1-17-9(16)3-7-6(12)2-5(10(13)14)8(4-11)15-7/h2,10H,3-4H2,1H3
InChIKeyQZJNAMYWIIUFLQ-UHFFFAOYSA-N
MW372.99 g/mol
LogP3.39
Rot. Bonds4

About methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate

methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134674702) has the molecular formula C10H9Br2F2NO2 and a molecular weight of 372.99 g/mol. Its IUPAC name is methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134674702
Molecular FormulaC10H9Br2F2NO2
Molecular Weight372.99 g/mol
Exact Mass370.90
IUPAC Namemethyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(CBr)c(C(F)F)cc1Br
InChIInChI=1S/C10H9Br2F2NO2/c1-17-9(16)3-7-6(12)2-5(10(13)14)8(4-11)15-7/h2,10H,3-4H2,1H3
InChIKeyQZJNAMYWIIUFLQ-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

methyl 2-[6-(aminomethyl)-5-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134670892
methyl 2-[6-(bromomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682476
methyl 2-[3-bromo-6-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 171029560
methyl 2-[5-bromo-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetate
CID 134670862
methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate
CID 130098249
methyl 2-[4-bromo-6-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685357
methyl 2-[3-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134675923
methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134686341
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-(difluoromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029249
methyl 2-[6-bromo-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 134671729

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate (CID 134674702) is methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(CBr)c(C(F)F)cc1Br.
What is the InChIKey of methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is QZJNAMYWIIUFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F2NO2/c1-17-9(16)3-7-6(12)2-5(10(13)14)8(4-11)15-7/h2,10H,3-4H2,1H3.
What are the key properties of methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-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-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134674702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).