1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone

C10H12N4O3 — CID 170826144

IUPAC1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C(O)C(O)CN=[N+]=[N-])nc1
InChIInChI=1S/C10H12N4O3/c1-6(15)7-2-3-8(12-4-7)10(17)9(16)5-13-14-11/h2-4,9-10,16-17H,5H2,1H3
InChIKeyMZTFCYBSWXFRJN-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.99
Rot. Bonds5

About 1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone

1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone (PubChem CID 170826144) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone
PubChem CID170826144
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C(O)C(O)CN=[N+]=[N-])nc1
InChIInChI=1S/C10H12N4O3/c1-6(15)7-2-3-8(12-4-7)10(17)9(16)5-13-14-11/h2-4,9-10,16-17H,5H2,1H3
InChIKeyMZTFCYBSWXFRJN-UHFFFAOYSA-N
XLogP0.99
TPSA119.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
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

3-azido-1-(5-methyl-2-pyridinyl)propane-1,2-diol
CID 170825513
3-azido-1-(5-hydroxy-2-pyridinyl)propane-1,2-diol
CID 170825528
1-[6-(azidomethyl)-3-pyridinyl]ethanone
CID 118052846
1-[3-(3-azido-1,2-dihydroxypropyl)-4-methoxyphenyl]ethanone
CID 170826582
5-(3-azido-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 170826111
3-azido-1-(5-hydroxypyrimidin-2-yl)propane-1,2-diol
CID 170825484
1-(5-amino-2-pyridinyl)-4-azidobutane-1,2-diol
CID 171878923
4-azido-1-(5-hydroxy-2-pyridinyl)butane-1,2-diol
CID 171878971
3-azido-1-(2-fluoropyrimidin-5-yl)propane-1,2-diol
CID 170825462
methyl 4-(3-azido-1,2-dihydroxypropyl)-3-methoxybenzoate
CID 170826908
1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone
CID 130654774
1-[5-(4-azido-1,2-dihydroxybutyl)-3-pyridinyl]ethanone
CID 171879579

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone (CID 170826144) is 1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(C(O)C(O)CN=[N+]=[N-])nc1.
What is the InChIKey of 1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone?
The InChIKey is MZTFCYBSWXFRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-6(15)7-2-3-8(12-4-7)10(17)9(16)5-13-14-11/h2-4,9-10,16-17H,5H2,1H3.
What are the key properties of 1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone?
1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone has a molecular weight of 236.23 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-azido-1,2-dihydroxypropyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 170826144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).