ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate

C9H11BrN2O2 — CID 133098459

IUPACethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1ccnc(Br)c1N
InChIInChI=1S/C9H11BrN2O2/c1-2-14-7(13)5-6-3-4-12-9(10)8(6)11/h3-4H,2,5,11H2,1H3
InChIKeyGYFCKMFTRVQYPR-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.53
Rot. Bonds3

About ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate

ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate (PubChem CID 133098459) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate
PubChem CID133098459
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Nameethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate
SMILESCCOC(=O)Cc1ccnc(Br)c1N
InChIInChI=1S/C9H11BrN2O2/c1-2-14-7(13)5-6-3-4-12-9(10)8(6)11/h3-4H,2,5,11H2,1H3
InChIKeyGYFCKMFTRVQYPR-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-3-bromo-4-pyridinyl)acetate
CID 133098465
ethyl 2-(2-amino-3-fluoro-4-pyridinyl)acetate
CID 133096427
ethyl 2-(2-bromo-4-cyano-3-pyridinyl)acetate
CID 171029855
ethyl 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133098254
methyl 2-(3-amino-2-methyl-4-pyridinyl)acetate
CID 130681269
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
ethyl 2-(4-aminopyrimidin-2-yl)acetate
CID 133058432
ethyl 2-[2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 133091163
ethyl 2-(2-cyano-3-methyl-4-pyridinyl)acetate
CID 133097445
ethyl 2-(2,3-diamino-4-fluorophenyl)acetate
CID 171024930
ethyl 2-(5-amino-2-bromo-4-pyridinyl)acetate
CID 133098456
ethyl 2-[2-iodo-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133096536

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate (CID 133098459) is ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate is CCOC(=O)Cc1ccnc(Br)c1N.
What is the InChIKey of ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate?
The InChIKey is GYFCKMFTRVQYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-2-14-7(13)5-6-3-4-12-9(10)8(6)11/h3-4H,2,5,11H2,1H3.
What are the key properties of ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate?
ethyl 2-(3-amino-2-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-(3-amino-2-bromo-4-pyridinyl)acetate is sourced from PubChem (CID 133098459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).