ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate

C10H9BrClF2NO2 — CID 134677641

IUPACethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(Cl)c(Br)c1C(F)F
InChIInChI=1S/C10H9BrClF2NO2/c1-2-17-7(16)3-6-8(10(13)14)9(11)5(12)4-15-6/h4,10H,2-3H2,1H3
InChIKeyCDACPJGCAVOGCE-UHFFFAOYSA-N
MW328.54 g/mol
LogP3.54
Rot. Bonds4

About ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate

ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134677641) has the molecular formula C10H9BrClF2NO2 and a molecular weight of 328.54 g/mol. Its IUPAC name is ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134677641
Molecular FormulaC10H9BrClF2NO2
Molecular Weight328.54 g/mol
Exact Mass326.95
IUPAC Nameethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(Cl)c(Br)c1C(F)F
InChIInChI=1S/C10H9BrClF2NO2/c1-2-17-7(16)3-6-8(10(13)14)9(11)5(12)4-15-6/h4,10H,2-3H2,1H3
InChIKeyCDACPJGCAVOGCE-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

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Related Compounds

ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134683899
ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134667668
ethyl 2-[4-(bromomethyl)-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 133104108
ethyl 2-[5-chloro-3-(difluoromethyl)-2-iodo-4-pyridinyl]acetate
CID 134673858
ethyl 2-[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134685366
ethyl 2-[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674682
ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate
CID 133101258
ethyl 2-[5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
CID 133088380
ethyl 2-[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134662548
ethyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetate
CID 133101946
ethyl 2-[5-chloro-3-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate
CID 134685478
ethyl 6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671858

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate (CID 134677641) is ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1ncc(Cl)c(Br)c1C(F)F.
What is the InChIKey of ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is CDACPJGCAVOGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF2NO2/c1-2-17-7(16)3-6-8(10(13)14)9(11)5(12)4-15-6/h4,10H,2-3H2,1H3.
What are the key properties of ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[4-bromo-5-chloro-3-(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-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134677641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).