2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide

C9H12BrN3O2 — CID 91450779

IUPAC2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide
SMILESCCOC(C(N)=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H12BrN3O2/c1-2-15-7(9(12)14)6-3-5(10)4-13-8(6)11/h3-4,7H,2H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyBUPFWQZJEFFHMS-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.99
Rot. Bonds4

About 2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide

2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide (PubChem CID 91450779) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide
PubChem CID91450779
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide
SMILESCCOC(C(N)=O)c1cc(Br)cnc1N
InChIInChI=1S/C9H12BrN3O2/c1-2-15-7(9(12)14)6-3-5(10)4-13-8(6)11/h3-4,7H,2H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyBUPFWQZJEFFHMS-UHFFFAOYSA-N
XLogP0.99
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5-bromo-3-pyridinyl)ethyl hydrogen sulfite
CID 174644135
ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate
CID 67086431
3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 84705565
3-amino-1-(2-amino-5-bromo-3-pyridinyl)propane-1,2-diol
CID 170829105
(3S)-3-amino-3-(2-amino-5-bromo-3-pyridinyl)propan-1-ol
CID 130664394
ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylimino]propanoate
CID 143612144
3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid
CID 84709726
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
CID 84704280
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63837381

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide?
The IUPAC name of 2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide (CID 91450779) is 2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide.
What is the SMILES notation for 2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide?
The canonical SMILES for 2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide is CCOC(C(N)=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide?
The InChIKey is BUPFWQZJEFFHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-2-15-7(9(12)14)6-3-5(10)4-13-8(6)11/h3-4,7H,2H2,1H3,(H2,11,13)(H2,12,14).
What are the key properties of 2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide?
2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide has a molecular weight of 274.12 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromo-3-pyridinyl)-2-ethoxyacetamide is sourced from PubChem (CID 91450779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).