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

C10H10BrF2NO2 — CID 134682688

IUPACethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)cc(Br)n1
InChIInChI=1S/C10H10BrF2NO2/c1-2-16-9(15)5-7-3-6(10(12)13)4-8(11)14-7/h3-4,10H,2,5H2,1H3
InChIKeyDKOMFORFIZEEFJ-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.89
Rot. Bonds4

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

ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134682688) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134682688
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Nameethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)cc(Br)n1
InChIInChI=1S/C10H10BrF2NO2/c1-2-16-9(15)5-7-3-6(10(12)13)4-8(11)14-7/h3-4,10H,2,5H2,1H3
InChIKeyDKOMFORFIZEEFJ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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

ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 133090974
ethyl 2-[4-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134673677
ethyl 2-[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134663511
ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134675410
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
ethyl 2-[5-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134686113
ethyl 2-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134686052
[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118831489
ethyl 2-[4-(bromomethyl)-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 133104625
ethyl 2-[6-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134671964
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 133100722
ethyl 2-[4-chloro-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134663801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate (CID 134682688) is ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)cc(Br)n1.
What is the InChIKey of ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is DKOMFORFIZEEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-2-16-9(15)5-7-3-6(10(12)13)4-8(11)14-7/h3-4,10H,2,5H2,1H3.
What are the key properties of ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 294.10 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134682688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).