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

C8H9N5O5 — CID 170826420

IUPAC5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one
SMILES[N-]=[N+]=NCC(O)C(O)c1c[nH]c(=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9N5O5/c9-12-11-3-6(14)7(15)4-1-5(13(17)18)8(16)10-2-4/h1-2,6-7,14-15H,3H2,(H,10,16)
InChIKeyZKAKNLYEKVVBQY-UHFFFAOYSA-N
MW255.19 g/mol
LogP-0.01
Rot. Bonds5

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

5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one (PubChem CID 170826420) has the molecular formula C8H9N5O5 and a molecular weight of 255.19 g/mol. Its IUPAC name is 5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one
PubChem CID170826420
Molecular FormulaC8H9N5O5
Molecular Weight255.19 g/mol
Exact Mass255.06
IUPAC Name5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one
SMILES[N-]=[N+]=NCC(O)C(O)c1c[nH]c(=O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9N5O5/c9-12-11-3-6(14)7(15)4-1-5(13(17)18)8(16)10-2-4/h1-2,6-7,14-15H,3H2,(H,10,16)
InChIKeyZKAKNLYEKVVBQY-UHFFFAOYSA-N
XLogP-0.01
TPSA165.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
CID 170825785
N-[4-(3-azido-1,2-dihydroxypropyl)-2-nitrophenyl]acetamide
CID 170826976
5-[1,2-dihydroxy-4-(methylamino)butyl]-3-nitro-1H-pyridin-2-one
CID 171890616
5-(3-azido-1,2-dihydroxypropyl)-3-nitropyridine-2-carbonitrile
CID 170826744
methyl 5-(3-azido-1,2-dihydroxypropyl)-2-methyl-3-nitrobenzoate
CID 170827027
3-azido-1-(3-fluoro-5-nitrophenyl)propane-1,2-diol
CID 170826462
tert-butyl N-[3,4-dihydroxy-4-(5-nitro-6-oxo-1H-pyridin-3-yl)butyl]carbamate
CID 171885240
3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol
CID 170826691
3-azido-1-(2-methyl-6-nitrophenyl)propane-1,2-diol
CID 170826497
4-azido-1-(4-chloro-3-nitrophenyl)butane-1,2-diol
CID 171879912
3-azido-1-(2-chloro-5-nitro-3-pyridinyl)propane-1,2-diol
CID 170826393
2-(3-azido-1,2-dihydroxypropyl)-1H-pyridin-4-one
CID 170825527

Frequently Asked Questions

What is the IUPAC name of 5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one?
The IUPAC name of 5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one (CID 170826420) is 5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one is [N-]=[N+]=NCC(O)C(O)c1c[nH]c(=O)c([N+](=O)[O-])c1.
What is the InChIKey of 5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one?
The InChIKey is ZKAKNLYEKVVBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O5/c9-12-11-3-6(14)7(15)4-1-5(13(17)18)8(16)10-2-4/h1-2,6-7,14-15H,3H2,(H,10,16).
What are the key properties of 5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one?
5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one has a molecular weight of 255.19 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azido-1,2-dihydroxypropyl)-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 170826420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).