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

C10H10BrF2NO2 — CID 130098249

IUPACmethyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(CBr)c(C(F)F)c1
InChIInChI=1S/C10H10BrF2NO2/c1-16-9(15)3-6-2-7(10(12)13)8(4-11)14-5-6/h2,5,10H,3-4H2,1H3
InChIKeyKIYGDGKAENLSBA-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.63
Rot. Bonds4

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

methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 130098249) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID130098249
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Namemethyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(CBr)c(C(F)F)c1
InChIInChI=1S/C10H10BrF2NO2/c1-16-9(15)3-6-2-7(10(12)13)8(4-11)14-5-6/h2,5,10H,3-4H2,1H3
InChIKeyKIYGDGKAENLSBA-UHFFFAOYSA-N
XLogP2.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.63
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-amino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134668410
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134674702
methyl 2-[5-(difluoromethyl)-4-fluoro-3-methyl-2-pyridinyl]acetate
CID 133105429
methyl 2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134684285
methyl 2-[3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 133103983
methyl 2-[6-(bromomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682476
methyl 2-[3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682144
6-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxamide
CID 130098307
methyl 2-[5-(difluoromethyl)-3-fluoro-4-methoxy-2-pyridinyl]acetate
CID 133105735
methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133088360
methyl 2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130090206
methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134673522

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate (CID 130098249) is methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cnc(CBr)c(C(F)F)c1.
What is the InChIKey of methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is KIYGDGKAENLSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-16-9(15)3-6-2-7(10(12)13)8(4-11)14-5-6/h2,5,10H,3-4H2,1H3.
What are the key properties of methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate?
methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 294.10 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 130098249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).