methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate

C10H10BrF2NO2 — CID 134675916

IUPACmethyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(C)c(Br)n1
InChIInChI=1S/C10H10BrF2NO2/c1-5-7(10(12)13)3-6(14-9(5)11)4-8(15)16-2/h3,10H,4H2,1-2H3
InChIKeyWKKFFHIEVHWOGC-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.81
Rot. Bonds3

About methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate

methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate (PubChem CID 134675916) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
PubChem CID134675916
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Namemethyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(C)c(Br)n1
InChIInChI=1S/C10H10BrF2NO2/c1-5-7(10(12)13)3-6(14-9(5)11)4-8(15)16-2/h3,10H,4H2,1-2H3
InChIKeyWKKFFHIEVHWOGC-UHFFFAOYSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.81
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-4-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134685061
methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674202
methyl 2-[5-amino-6-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134684597
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 134683250
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119
methyl 2-[6-bromo-5-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134675383
methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669816
methyl 2-[3-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134675923
ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
CID 133101348
methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134669255
methyl 2-[4-(difluoromethyl)-5-fluoro-6-nitro-2-pyridinyl]acetate
CID 133104656
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate (CID 134675916) is methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate is COC(=O)Cc1cc(C(F)F)c(C)c(Br)n1.
What is the InChIKey of methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate?
The InChIKey is WKKFFHIEVHWOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-5-7(10(12)13)3-6(14-9(5)11)4-8(15)16-2/h3,10H,4H2,1-2H3.
What are the key properties of methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate?
methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate has a molecular weight of 294.10 g/mol, XLogP of 2.81, 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-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 134675916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).