3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one

C10H15BrN2O2 — CID 165482376

IUPAC3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one
SMILESCC(O)CCCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-7(14)3-2-4-13-5-8(11)10(15)9(12)6-13/h5-7,14H,2-4,12H2,1H3
InChIKeyNWBDIMIEYJDPIM-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.35
Rot. Bonds4

About 3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one

3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one (PubChem CID 165482376) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one
PubChem CID165482376
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one
SMILESCC(O)CCCn1cc(N)c(=O)c(Br)c1
InChIInChI=1S/C10H15BrN2O2/c1-7(14)3-2-4-13-5-8(11)10(15)9(12)6-13/h5-7,14H,2-4,12H2,1H3
InChIKeyNWBDIMIEYJDPIM-UHFFFAOYSA-N
XLogP1.35
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-5-bromo-1-(5-hydroxypentyl)-1,4-dihydropyridin-4-one
CID 103961764
3-Amino-5-bromo-1-(4-hydroxybutyl)-1,4-dihydropyridin-4-one
CID 103961944
3-Amino-5-bromo-1-(3-hydroxypropyl)-1,4-dihydropyridin-4-one
CID 103961967
3-Amino-5-bromo-1-(2-hydroxypropyl)-1,4-dihydropyridin-4-one
CID 103962031
3-Amino-5-bromo-1-(3-hydroxybutyl)-1,4-dihydropyridin-4-one
CID 104317727
3-Amino-5-bromo-1-(4-methoxybutyl)-1,4-dihydropyridin-4-one
CID 104647607
3-Amino-5-bromo-1-(6-hydroxyhexyl)pyridin-4-one
CID 107703765
3-Amino-5-bromo-1-(3-hydroxy-2-methylpropyl)-1,4-dihydropyridin-4-one
CID 116492786
3-Amino-5-bromo-1-(2-hydroxy-3-methylbutyl)-1,4-dihydropyridin-4-one
CID 165473601
3-Amino-1-(4-hydroxypentyl)-1,4-dihydropyridin-4-one
CID 165873057
3-Amino-5-bromo-1-(3-hydroxy-2,2-dimethylpropyl)-1,4-dihydropyridin-4-one
CID 165952827

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one (CID 165482376) is 3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one is CC(O)CCCn1cc(N)c(=O)c(Br)c1.
What is the InChIKey of 3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one?
The InChIKey is NWBDIMIEYJDPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-7(14)3-2-4-13-5-8(11)10(15)9(12)6-13/h5-7,14H,2-4,12H2,1H3.
What are the key properties of 3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one?
3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one has a molecular weight of 275.15 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(4-hydroxypentyl)pyridin-4-one is sourced from PubChem (CID 165482376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).