6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid

C10H13N3O6 — CID 81438118

IUPAC6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid
SMILESCOCC(O)CNc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O6/c1-19-5-7(14)4-12-9-8(13(17)18)2-6(3-11-9)10(15)16/h2-3,7,14H,4-5H2,1H3,(H,11,12)(H,15,16)
InChIKeyXQUUKQJSXYUOLR-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.11
Rot. Bonds7

About 6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid

6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid (PubChem CID 81438118) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is 6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid
PubChem CID81438118
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid
SMILESCOCC(O)CNc1ncc(C(=O)O)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O6/c1-19-5-7(14)4-12-9-8(13(17)18)2-6(3-11-9)10(15)16/h2-3,7,14H,4-5H2,1H3,(H,11,12)(H,15,16)
InChIKeyXQUUKQJSXYUOLR-UHFFFAOYSA-N
XLogP0.11
TPSA134.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid
CID 106136487
6-[2-[methyl(propan-2-yl)amino]ethylamino]-5-nitropyridine-3-carboxylic acid
CID 81438518
6-[(5-hydroxy-4-methylpentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106161886
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-[(2-ethoxy-2-methylpropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114942695
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
CID 81437835
5-nitro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-3-carboxylic acid
CID 81446793
6-(cyclohexylmethylamino)-5-nitropyridine-3-carboxylic acid
CID 81438306
6-[(4-methylphenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442087
6-hydrazinyl-5-nitropyridine-3-carboxylic acid
CID 82862825
1-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propan-2-ol
CID 79889536
6-[(5-amino-5-oxopentyl)amino]-5-nitropyridine-3-carboxylic acid
CID 106237764

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid (CID 81438118) is 6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid is COCC(O)CNc1ncc(C(=O)O)cc1[N+](=O)[O-].
What is the InChIKey of 6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid?
The InChIKey is XQUUKQJSXYUOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6/c1-19-5-7(14)4-12-9-8(13(17)18)2-6(3-11-9)10(15)16/h2-3,7,14H,4-5H2,1H3,(H,11,12)(H,15,16).
What are the key properties of 6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid?
6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-3-methoxypropyl)amino]-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 81438118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).