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

C10H9BrClF2NO2 — CID 134675410

IUPACethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(Br)c(Cl)n1
InChIInChI=1S/C10H9BrClF2NO2/c1-2-17-7(16)4-5-3-6(10(13)14)8(11)9(12)15-5/h3,10H,2,4H2,1H3
InChIKeyQDXNXCKPTHOJNV-UHFFFAOYSA-N
MW328.54 g/mol
LogP3.54
Rot. Bonds4

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

ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134675410) has the molecular formula C10H9BrClF2NO2 and a molecular weight of 328.54 g/mol. Its IUPAC name is ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134675410
Molecular FormulaC10H9BrClF2NO2
Molecular Weight328.54 g/mol
Exact Mass326.95
IUPAC Nameethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(Br)c(Cl)n1
InChIInChI=1S/C10H9BrClF2NO2/c1-2-17-7(16)4-5-3-6(10(13)14)8(11)9(12)15-5/h3,10H,2,4H2,1H3
InChIKeyQDXNXCKPTHOJNV-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 53.54
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-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134686052
ethyl 2-[5-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134686113
ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 171029621
ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
CID 133101348
ethyl 2-[2-chloro-4-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 134661969
ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134684588
ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134682688
ethyl 2-[4-chloro-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134663801
ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
CID 134674085
ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 134674976
ethyl 2-[4-bromo-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134673677
ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 133090974

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate (CID 134675410) is ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)c(Br)c(Cl)n1.
What is the InChIKey of ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is QDXNXCKPTHOJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF2NO2/c1-2-17-7(16)4-5-3-6(10(13)14)8(11)9(12)15-5/h3,10H,2,4H2,1H3.
What are the key properties of ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 328.54 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134675410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).