ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate

C10H9Br2F2NO2 — CID 134676450

IUPACethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(Br)cc(C(F)F)nc1Br
InChIInChI=1S/C10H9Br2F2NO2/c1-2-17-8(16)3-5-6(11)4-7(10(13)14)15-9(5)12/h4,10H,2-3H2,1H3
InChIKeyWBEQCEAGCSFETM-UHFFFAOYSA-N
MW372.99 g/mol
LogP3.65
Rot. Bonds4

About ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate

ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134676450) has the molecular formula C10H9Br2F2NO2 and a molecular weight of 372.99 g/mol. Its IUPAC name is ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134676450
Molecular FormulaC10H9Br2F2NO2
Molecular Weight372.99 g/mol
Exact Mass370.90
IUPAC Nameethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(Br)cc(C(F)F)nc1Br
InChIInChI=1S/C10H9Br2F2NO2/c1-2-17-8(16)3-5-6(11)4-7(10(13)14)15-9(5)12/h4,10H,2-3H2,1H3
InChIKeyWBEQCEAGCSFETM-UHFFFAOYSA-N
XLogP3.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.99
LogP ≤ 53.65
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-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672936
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
ethyl 2-[6-(difluoromethyl)-4-fluoro-2-methyl-3-pyridinyl]acetate
CID 133104991
ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134684334
ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672940
ethyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134684376
ethyl 2-[6-bromo-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134670859
ethyl 2-[6-(difluoromethyl)-2-fluoro-4-methoxy-3-pyridinyl]acetate
CID 133105470
methyl 2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134667557
ethyl 2-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134662497
ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133101552
ethyl 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetate
CID 134673251

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate (CID 134676450) is ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1c(Br)cc(C(F)F)nc1Br.
What is the InChIKey of ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is WBEQCEAGCSFETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F2NO2/c1-2-17-8(16)3-5-6(11)4-7(10(13)14)15-9(5)12/h4,10H,2-3H2,1H3.
What are the key properties of ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 372.99 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134676450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).