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

C10H12BrNO2 — CID 133098009

IUPACethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(Br)ncc1C
InChIInChI=1S/C10H12BrNO2/c1-3-14-10(13)5-8-4-9(11)12-6-7(8)2/h4,6H,3,5H2,1-2H3
InChIKeyBNIRTFPFVXEODM-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.26
Rot. Bonds3

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

ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate (PubChem CID 133098009) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate
PubChem CID133098009
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Nameethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(Br)ncc1C
InChIInChI=1S/C10H12BrNO2/c1-3-14-10(13)5-8-4-9(11)12-6-7(8)2/h4,6H,3,5H2,1-2H3
InChIKeyBNIRTFPFVXEODM-UHFFFAOYSA-N
XLogP2.26
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.26
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-(5-amino-2-bromo-4-pyridinyl)acetate
CID 133098456
ethyl 2-(4,6-dibromo-3-pyridinyl)acetate
CID 133097252
ethyl 2-[2-bromo-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097912
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-(5-amino-4-methyl-2-pyridinyl)acetate
CID 133098372
ethyl 2-(2-bromo-5-ethoxyphenyl)acetate
CID 150760921
ethyl 2-(4-bromo-5-formyl-2-methylphenyl)acetate
CID 171010282
ethyl 2-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097921
ethyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097919
ethyl 2-(4-bromo-2-iodo-5-methylphenyl)acetate
CID 171563647
ethyl 2-(4-bromo-6-nitro-3-pyridinyl)acetate
CID 133097965

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate?
The IUPAC name of ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate (CID 133098009) is ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate is CCOC(=O)Cc1cc(Br)ncc1C.
What is the InChIKey of ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate?
The InChIKey is BNIRTFPFVXEODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-3-14-10(13)5-8-4-9(11)12-6-7(8)2/h4,6H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate?
ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate has a molecular weight of 258.11 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate is sourced from PubChem (CID 133098009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).