5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one

C8H10N4O4 — CID 170825785

IUPAC5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
SMILES[N-]=[N+]=NCC(O)C(O)c1c[nH]c(=O)c(O)c1
InChIInChI=1S/C8H10N4O4/c9-12-11-3-6(14)7(15)4-1-5(13)8(16)10-2-4/h1-2,6-7,13-15H,3H2,(H,10,16)
InChIKeyFMSMGRCAZYKTEY-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.21
Rot. Bonds4

About 5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one

5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one (PubChem CID 170825785) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
PubChem CID170825785
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
SMILES[N-]=[N+]=NCC(O)C(O)c1c[nH]c(=O)c(O)c1
InChIInChI=1S/C8H10N4O4/c9-12-11-3-6(14)7(15)4-1-5(13)8(16)10-2-4/h1-2,6-7,13-15H,3H2,(H,10,16)
InChIKeyFMSMGRCAZYKTEY-UHFFFAOYSA-N
XLogP-0.21
TPSA142.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one
CID 170826420
5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
CID 170827810
3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
CID 171872063
2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one
CID 170825527
5-(3-azido-1,2-dihydroxypropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 170825708
5-(3-azido-1,2-dihydroxypropyl)benzene-1,3-dicarbaldehyde
CID 170826321
2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanamide
CID 171867927
2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanenitrile
CID 171869993
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760
3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
CID 170827281
3-azido-1-(3,5-dichloro-4-fluorophenyl)propane-1,2-diol
CID 170825846
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462

Frequently Asked Questions

What is the IUPAC name of 5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one?
The IUPAC name of 5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one (CID 170825785) is 5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one is [N-]=[N+]=NCC(O)C(O)c1c[nH]c(=O)c(O)c1.
What is the InChIKey of 5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one?
The InChIKey is FMSMGRCAZYKTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c9-12-11-3-6(14)7(15)4-1-5(13)8(16)10-2-4/h1-2,6-7,13-15H,3H2,(H,10,16).
What are the key properties of 5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one?
5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one has a molecular weight of 226.19 g/mol, XLogP of -0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 170825785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).