2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one

C8H10BrN3O — CID 84704280

IUPAC2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
SMILESCC(N)C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C8H10BrN3O/c1-4(10)7(13)6-2-5(9)3-12-8(6)11/h2-4H,10H2,1H3,(H2,11,12)
InChIKeyJRNRQTRQERDJSX-UHFFFAOYSA-N
MW244.09 g/mol
LogP0.96
Rot. Bonds2

About 2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one

2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one (PubChem CID 84704280) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
PubChem CID84704280
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one
SMILESCC(N)C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C8H10BrN3O/c1-4(10)7(13)6-2-5(9)3-12-8(6)11/h2-4H,10H2,1H3,(H2,11,12)
InChIKeyJRNRQTRQERDJSX-UHFFFAOYSA-N
XLogP0.96
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035
2-amino-5-bromo-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102907966
2-amino-5-bromo-N-pentan-2-ylpyridine-3-carboxamide
CID 62152326
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
2-amino-5-bromo-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63837381
[amino-(2-amino-5-bromo-3-pyridinyl)methylidene]azanium
CID 147829128
2-amino-5-bromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 62159754
2-amino-5-bromo-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287868
2-amino-1-(5-bromo-2-chlorophenyl)propan-1-one
CID 84710830
2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62160177
(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62776114
2-amino-5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 106389722

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one?
The IUPAC name of 2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one (CID 84704280) is 2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one is CC(N)C(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one?
The InChIKey is JRNRQTRQERDJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-4(10)7(13)6-2-5(9)3-12-8(6)11/h2-4H,10H2,1H3,(H2,11,12).
What are the key properties of 2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one?
2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one has a molecular weight of 244.09 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-amino-5-bromo-3-pyridinyl)propan-1-one is sourced from PubChem (CID 84704280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).