3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol

C8H11N3O4 — CID 115871237

IUPAC3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol
SMILESO=[N+]([O-])c1ncccc1NCC(O)CO
InChIInChI=1S/C8H11N3O4/c12-5-6(13)4-10-7-2-1-3-9-8(7)11(14)15/h1-3,6,10,12-13H,4-5H2
InChIKeyVYQGVNCAYOGVLE-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.25
Rot. Bonds5

About 3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol

3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol (PubChem CID 115871237) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol
PubChem CID115871237
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol
SMILESO=[N+]([O-])c1ncccc1NCC(O)CO
InChIInChI=1S/C8H11N3O4/c12-5-6(13)4-10-7-2-1-3-9-8(7)11(14)15/h1-3,6,10,12-13H,4-5H2
InChIKeyVYQGVNCAYOGVLE-UHFFFAOYSA-N
XLogP-0.25
TPSA108.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol
CID 113224700
3-[[(2-nitro-3-pyridinyl)amino]methyl]pentan-1-ol
CID 112698378
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001
N-(2,2-dimethoxyethyl)-2-nitropyridin-3-amine
CID 107390155
(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
CID 126999846
N-(2-cyclopropylpropyl)-2-nitropyridin-3-amine
CID 115591421
2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 115585333
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
2-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-3-amine
CID 106293612
2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 112685108
2,4-dimethyl-1-[(2-nitro-3-pyridinyl)amino]pentan-2-ol
CID 113424897
N-methyl-2-nitropyridin-3-amine
CID 555983

Frequently Asked Questions

What is the IUPAC name of 3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol?
The IUPAC name of 3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol (CID 115871237) is 3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol is O=[N+]([O-])c1ncccc1NCC(O)CO.
What is the InChIKey of 3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol?
The InChIKey is VYQGVNCAYOGVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-5-6(13)4-10-7-2-1-3-9-8(7)11(14)15/h1-3,6,10,12-13H,4-5H2.
What are the key properties of 3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol?
3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol has a molecular weight of 213.19 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol is sourced from PubChem (CID 115871237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).