2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one

C8H10N4O3 — CID 170825527

IUPAC2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one
SMILES[N-]=[N+]=NCC(O)C(O)c1cc(=O)cc[nH]1
InChIInChI=1S/C8H10N4O3/c9-12-11-4-7(14)8(15)6-3-5(13)1-2-10-6/h1-3,7-8,14-15H,4H2,(H,10,13)
InChIKeyLIKFQXDNSJAVIB-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.08
Rot. Bonds4

About 2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one

2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one (PubChem CID 170825527) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one
PubChem CID170825527
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one
SMILES[N-]=[N+]=NCC(O)C(O)c1cc(=O)cc[nH]1
InChIInChI=1S/C8H10N4O3/c9-12-11-4-7(14)8(15)6-3-5(13)1-2-10-6/h1-3,7-8,14-15H,4H2,(H,10,13)
InChIKeyLIKFQXDNSJAVIB-UHFFFAOYSA-N
XLogP0.08
TPSA122.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hydroxy-1H-pyridin-2-one
CID 170825785
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180
5-(3-azido-1,2-dihydroxypropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 170825708
5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one
CID 170826420
5-(3-azido-1,2-dihydroxypropyl)benzene-1,3-dicarbaldehyde
CID 170826321
3-azido-1-naphthalen-2-ylpropane-1,2-diol
CID 170826208
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484
3-azido-1-(2,3,5,6-tetrafluorophenyl)propane-1,2-diol
CID 170826276
1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol
CID 170826103
2-[4-(3-azido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170826324
3-azido-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
CID 170827281
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760

Frequently Asked Questions

What is the IUPAC name of 2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one?
The IUPAC name of 2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one (CID 170825527) is 2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one is [N-]=[N+]=NCC(O)C(O)c1cc(=O)cc[nH]1.
What is the InChIKey of 2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one?
The InChIKey is LIKFQXDNSJAVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-12-11-4-7(14)8(15)6-3-5(13)1-2-10-6/h1-3,7-8,14-15H,4H2,(H,10,13).
What are the key properties of 2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one?
2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one has a molecular weight of 210.19 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one is sourced from PubChem (CID 170825527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).