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

C9H8BrF2NO2 — CID 134671182

IUPACmethyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Br)ccc1C(F)F
InChIInChI=1S/C9H8BrF2NO2/c1-15-8(14)4-6-5(9(11)12)2-3-7(10)13-6/h2-3,9H,4H2,1H3
InChIKeyDDZBZBJPRYONBU-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.50
Rot. Bonds3

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

methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134671182) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134671182
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Namemethyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Br)ccc1C(F)F
InChIInChI=1S/C9H8BrF2NO2/c1-15-8(14)4-6-5(9(11)12)2-3-7(10)13-6/h2-3,9H,4H2,1H3
InChIKeyDDZBZBJPRYONBU-UHFFFAOYSA-N
XLogP2.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.50
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-(6-bromo-3-methoxy-2-pyridinyl)acetate
CID 133098126
methyl 2-[6-(aminomethyl)-5-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134670892
methyl 2-[3-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134675923
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134674702
methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134669255
methyl 2-[5-bromo-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetate
CID 134670862
6-bromo-3-(difluoromethyl)-2-(fluoromethyl)pyridine
CID 130095142
methyl 2-[6-bromo-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 134671729
methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 134674876
6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 130095122
methyl 2-[6-bromo-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685224
methyl 2-[3-bromo-6-cyano-5-(difluoromethyl)-2-pyridinyl]acetate
CID 171029560

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate (CID 134671182) is methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(Br)ccc1C(F)F.
What is the InChIKey of methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is DDZBZBJPRYONBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-15-8(14)4-6-5(9(11)12)2-3-7(10)13-6/h2-3,9H,4H2,1H3.
What are the key properties of methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 280.07 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-bromo-3-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134671182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).