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

C10H10BrF2NO2 — CID 134672936

IUPACethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccc(C(F)F)nc1Br
InChIInChI=1S/C10H10BrF2NO2/c1-2-16-8(15)5-6-3-4-7(10(12)13)14-9(6)11/h3-4,10H,2,5H2,1H3
InChIKeyHEBCLLYEQVEVNH-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.89
Rot. Bonds4

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

ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134672936) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134672936
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Nameethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccc(C(F)F)nc1Br
InChIInChI=1S/C10H10BrF2NO2/c1-2-16-8(15)5-6-3-4-7(10(12)13)14-9(6)11/h3-4,10H,2,5H2,1H3
InChIKeyHEBCLLYEQVEVNH-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-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676450
ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134673525
ethyl 2-[2-bromo-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134684377
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134669121
ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672940
ethyl 6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 133093188
ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134658560
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
ethyl 2-[2-(bromomethyl)-3-chloro-6-(difluoromethyl)-4-pyridinyl]acetate
CID 134674555
ethyl 2-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134662497
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
ethyl 2-[6-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134671964

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate (CID 134672936) is ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1ccc(C(F)F)nc1Br.
What is the InChIKey of ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is HEBCLLYEQVEVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-2-16-8(15)5-6-3-4-7(10(12)13)14-9(6)11/h3-4,10H,2,5H2,1H3.
What are the key properties of ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[2-bromo-6-(difluoromethyl)-3-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-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134672936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).