2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride

C7H8Br2ClN3O — CID 131084169

IUPAC2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cnc(Br)c(Br)c1
InChIInChI=1S/C7H7Br2N3O.ClH/c8-5-1-4(3-11-7(5)9)12-6(13)2-10;/h1,3H,2,10H2,(H,12,13);1H
InChIKeyMXMBPALXIYKCIO-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride

2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride (PubChem CID 131084169) has the molecular formula C7H8Br2ClN3O and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride
PubChem CID131084169
Molecular FormulaC7H8Br2ClN3O
Molecular Weight345.42 g/mol
Exact Mass342.87
IUPAC Name2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cnc(Br)c(Br)c1
InChIInChI=1S/C7H7Br2N3O.ClH/c8-5-1-4(3-11-7(5)9)12-6(13)2-10;/h1,3H,2,10H2,(H,12,13);1H
InChIKeyMXMBPALXIYKCIO-UHFFFAOYSA-N
XLogP1.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5,6-dichloro-3-pyridinyl)acetamide
CID 130609491
1-(5,6-dibromo-3-pyridinyl)-3-methylthiourea
CID 130708546
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
N-(5,6-dibromo-3-pyridinyl)-4-ethylsulfonylbenzamide
CID 71853902
2-amino-N-(4-bromo-3,5-dimethylphenyl)acetamide
CID 107574130
N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide
CID 131080965
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
5,6-dibromo-N-but-2-ynylpyridine-3-carboxamide
CID 130665198
2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
CID 60848808
2-amino-N-[3-(2-fluoroethoxy)phenyl]acetamide;hydrochloride
CID 119337987
2-amino-N-[6-(dipropylamino)-3-pyridinyl]acetamide
CID 39181823
N-(5-bromo-6-chloro-3-pyridinyl)-2-(2-fluorophenyl)acetamide
CID 103816476

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride (CID 131084169) is 2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride is Cl.NCC(=O)Nc1cnc(Br)c(Br)c1.
What is the InChIKey of 2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride?
The InChIKey is MXMBPALXIYKCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N3O.ClH/c8-5-1-4(3-11-7(5)9)12-6(13)2-10;/h1,3H,2,10H2,(H,12,13);1H.
What are the key properties of 2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride?
2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride has a molecular weight of 345.42 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-dibromo-3-pyridinyl)acetamide;hydrochloride is sourced from PubChem (CID 131084169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).