ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate

C9H9BrClNO2 — CID 133098224

IUPACethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(Br)c(Cl)cn1
InChIInChI=1S/C9H9BrClNO2/c1-2-14-9(13)4-6-3-7(10)8(11)5-12-6/h3,5H,2,4H2,1H3
InChIKeyPGAQOWVPCHJFOS-UHFFFAOYSA-N
MW278.53 g/mol
LogP2.60
Rot. Bonds3

About ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate

ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate (PubChem CID 133098224) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate
PubChem CID133098224
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Nameethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(Br)c(Cl)cn1
InChIInChI=1S/C9H9BrClNO2/c1-2-14-9(13)4-6-3-7(10)8(11)5-12-6/h3,5H,2,4H2,1H3
InChIKeyPGAQOWVPCHJFOS-UHFFFAOYSA-N
XLogP2.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-amino-4-methyl-2-pyridinyl)acetate
CID 133098372
ethyl 2-(2,3-dibromo-5-chlorophenyl)acetate
CID 171033815
ethyl 2-(4,6-dibromo-3-pyridinyl)acetate
CID 133097252
ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate
CID 133096810
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-[5-chloro-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 118168634
ethyl 2-(6-chloropyrazin-2-yl)acetate
CID 52987963
ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-(3-chloro-5-hydroxy-2-pyridinyl)acetate
CID 133060978
ethyl 2-(5-bromo-6-fluoro-2-pyridinyl)acetate
CID 133098162
ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134677641
ethyl 2-[4-chloro-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134663801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate (CID 133098224) is ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate is CCOC(=O)Cc1cc(Br)c(Cl)cn1.
What is the InChIKey of ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate?
The InChIKey is PGAQOWVPCHJFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c1-2-14-9(13)4-6-3-7(10)8(11)5-12-6/h3,5H,2,4H2,1H3.
What are the key properties of ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate?
ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate has a molecular weight of 278.53 g/mol, XLogP of 2.60, 3 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-2-pyridinyl)acetate is sourced from PubChem (CID 133098224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).