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

C8H9BrN2O — CID 118668755

IUPAC1-(3-amino-5-bromo-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ncc(Br)cc1N
InChIInChI=1S/C8H9BrN2O/c1-5(12)2-8-7(10)3-6(9)4-11-8/h3-4H,2,10H2,1H3
InChIKeyLMAWQBGYJRIJLO-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.56
Rot. Bonds2

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

1-(3-amino-5-bromo-2-pyridinyl)propan-2-one (PubChem CID 118668755) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 1-(3-amino-5-bromo-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(3-amino-5-bromo-2-pyridinyl)propan-2-one
PubChem CID118668755
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name1-(3-amino-5-bromo-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ncc(Br)cc1N
InChIInChI=1S/C8H9BrN2O/c1-5(12)2-8-7(10)3-6(9)4-11-8/h3-4H,2,10H2,1H3
InChIKeyLMAWQBGYJRIJLO-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 ≤ 500229.08
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromopyridine-2,3-diamine;ethane
CID 90880932
tert-butyl 2-(3,5-dibromo-2-pyridinyl)acetate
CID 133061246
5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid
CID 146050007
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749
2-(aminomethyl)-5-bromopyridine-3-carboxylic acid
CID 165451398
(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106095644
3-(2-amino-5-bromo-3-pyridinyl)-2-methylpropanoic acid
CID 84709726
(5-bromo-3-methyl-2-pyridinyl)methylcarbamic acid
CID 118139687
2-(5-bromo-2-chloro-3-pyridinyl)acetamide
CID 131075466
5-bromo-2-(difluoromethyl)pyridin-3-amine
CID 130094563

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-bromo-2-pyridinyl)propan-2-one?
The IUPAC name of 1-(3-amino-5-bromo-2-pyridinyl)propan-2-one (CID 118668755) is 1-(3-amino-5-bromo-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(3-amino-5-bromo-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-(3-amino-5-bromo-2-pyridinyl)propan-2-one is CC(=O)Cc1ncc(Br)cc1N.
What is the InChIKey of 1-(3-amino-5-bromo-2-pyridinyl)propan-2-one?
The InChIKey is LMAWQBGYJRIJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-5(12)2-8-7(10)3-6(9)4-11-8/h3-4H,2,10H2,1H3.
What are the key properties of 1-(3-amino-5-bromo-2-pyridinyl)propan-2-one?
1-(3-amino-5-bromo-2-pyridinyl)propan-2-one has a molecular weight of 229.08 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 1-(3-amino-5-bromo-2-pyridinyl)propan-2-one is sourced from PubChem (CID 118668755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).