ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate

C9H11BrN2O2 — CID 133098451

IUPACethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(N)nc(Br)c1
InChIInChI=1S/C9H11BrN2O2/c1-2-14-9(13)5-6-3-7(10)12-8(11)4-6/h3-4H,2,5H2,1H3,(H2,11,12)
InChIKeyQUGBABYHEMFTGN-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.53
Rot. Bonds3

About ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate

ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate (PubChem CID 133098451) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate
PubChem CID133098451
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Nameethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(N)nc(Br)c1
InChIInChI=1S/C9H11BrN2O2/c1-2-14-9(13)5-6-3-7(10)12-8(11)4-6/h3-4H,2,5H2,1H3,(H2,11,12)
InChIKeyQUGBABYHEMFTGN-UHFFFAOYSA-N
XLogP1.53
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 133098328
ethyl 2-(3-amino-5-bromo-4-fluorophenyl)acetate
CID 171019379
ethyl 2-(4-amino-6-chloropyrimidin-2-yl)acetate
CID 13060218
ethyl 2-(5-amino-2-bromo-4-pyridinyl)acetate
CID 133098456
ethyl 2-(3-bromo-4-ethylphenyl)acetate
CID 82643388
methyl 2-(2-bromo-6-methoxy-4-pyridinyl)acetate
CID 133098117
ethyl 2-[6-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134682688
ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134658560
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
ethyl 2-(3,6-dibromo-2-pyridinyl)acetate
CID 121228136
ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate
CID 133098009
ethyl 2-(4,6-dibromo-3-pyridinyl)acetate
CID 133097252

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate?
The IUPAC name of ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate (CID 133098451) is ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate is CCOC(=O)Cc1cc(N)nc(Br)c1.
What is the InChIKey of ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate?
The InChIKey is QUGBABYHEMFTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-2-14-9(13)5-6-3-7(10)12-8(11)4-6/h3-4H,2,5H2,1H3,(H2,11,12).
What are the key properties of ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate?
ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate has a molecular weight of 259.10 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-6-bromo-4-pyridinyl)acetate is sourced from PubChem (CID 133098451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).