1-(2-aminobutyl)-5-bromopyridin-2-one

C9H13BrN2O — CID 82144020

IUPAC1-(2-aminobutyl)-5-bromopyridin-2-one
SMILESCCC(N)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H13BrN2O/c1-2-8(11)6-12-5-7(10)3-4-9(12)13/h3-5,8H,2,6,11H2,1H3
InChIKeySSHJPUOIYNQLKF-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.35
Rot. Bonds3

About 1-(2-aminobutyl)-5-bromopyridin-2-one

1-(2-aminobutyl)-5-bromopyridin-2-one (PubChem CID 82144020) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(2-aminobutyl)-5-bromopyridin-2-one.

Molecular Properties

Compound Name1-(2-aminobutyl)-5-bromopyridin-2-one
PubChem CID82144020
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name1-(2-aminobutyl)-5-bromopyridin-2-one
SMILESCCC(N)Cn1cc(Br)ccc1=O
InChIInChI=1S/C9H13BrN2O/c1-2-8(11)6-12-5-7(10)3-4-9(12)13/h3-5,8H,2,6,11H2,1H3
InChIKeySSHJPUOIYNQLKF-UHFFFAOYSA-N
XLogP1.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate
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3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide
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5-bromo-1-[2-(bromomethyl)-3-methylbutyl]pyridin-2-one
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5-bromo-1-(3-bromo-2-hydroxypropyl)pyridin-2-one
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CID 75494413
5-bromo-1-(4-methoxybutyl)pyridin-2-one
CID 115735573
5-bromo-1-[3-(methylamino)propyl]pyridin-2-one
CID 61387594
3-(5-bromo-2-oxo-1-pyridinyl)propanethioamide
CID 82151145
1-benzyl-5-bromopyridin-2-one
CID 15395936
1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-5-bromopyridin-2-one?
The IUPAC name of 1-(2-aminobutyl)-5-bromopyridin-2-one (CID 82144020) is 1-(2-aminobutyl)-5-bromopyridin-2-one.
What is the SMILES notation for 1-(2-aminobutyl)-5-bromopyridin-2-one?
The canonical SMILES for 1-(2-aminobutyl)-5-bromopyridin-2-one is CCC(N)Cn1cc(Br)ccc1=O.
What is the InChIKey of 1-(2-aminobutyl)-5-bromopyridin-2-one?
The InChIKey is SSHJPUOIYNQLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-2-8(11)6-12-5-7(10)3-4-9(12)13/h3-5,8H,2,6,11H2,1H3.
What are the key properties of 1-(2-aminobutyl)-5-bromopyridin-2-one?
1-(2-aminobutyl)-5-bromopyridin-2-one has a molecular weight of 245.12 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-5-bromopyridin-2-one is sourced from PubChem (CID 82144020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).