2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide

C7H8Br2N2O — CID 170860208

IUPAC2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide
SMILESBr.NCC(=O)c1ccnc(Br)c1
InChIInChI=1S/C7H7BrN2O.BrH/c8-7-3-5(1-2-10-7)6(11)4-9;/h1-3H,4,9H2;1H
InChIKeyQOOLDFKVSBZLQE-UHFFFAOYSA-N
MW295.96 g/mol
LogP1.56
Rot. Bonds2

About 2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide

2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide (PubChem CID 170860208) has the molecular formula C7H8Br2N2O and a molecular weight of 295.96 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide
PubChem CID170860208
Molecular FormulaC7H8Br2N2O
Molecular Weight295.96 g/mol
Exact Mass293.90
IUPAC Name2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide
SMILESBr.NCC(=O)c1ccnc(Br)c1
InChIInChI=1S/C7H7BrN2O.BrH/c8-7-3-5(1-2-10-7)6(11)4-9;/h1-3H,4,9H2;1H
InChIKeyQOOLDFKVSBZLQE-UHFFFAOYSA-N
XLogP1.56
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.96
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
2-amino-N-[(2-bromo-4-pyridinyl)methyl]acetamide
CID 66568573
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide
CID 106164264
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
2-bromo-N-pentan-3-ylpyridine-4-carboxamide
CID 103751828
cycloheptylmethyl 2-bromopyridine-4-carboxylate
CID 114249026
2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 103755038
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
2-bromo-N-(2-methylpropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 103755064
2-bromo-N-butan-2-ylpyridine-4-carboxamide
CID 103751691
(3-methoxy-3-methylbutyl) 2-bromopyridine-4-carboxylate
CID 102979052
2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 104952950

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide?
The IUPAC name of 2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide (CID 170860208) is 2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide.
What is the SMILES notation for 2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide?
The canonical SMILES for 2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide is Br.NCC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide?
The InChIKey is QOOLDFKVSBZLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O.BrH/c8-7-3-5(1-2-10-7)6(11)4-9;/h1-3H,4,9H2;1H.
What are the key properties of 2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide?
2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide has a molecular weight of 295.96 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide is sourced from PubChem (CID 170860208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).