6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid

C9H10N2O6 — CID 81437686

IUPAC6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OCCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O6/c12-2-1-3-17-8-7(11(15)16)4-6(5-10-8)9(13)14/h4-5,12H,1-3H2,(H,13,14)
InChIKeyAUZWXPLSFXTZBW-UHFFFAOYSA-N
MW242.19 g/mol
LogP0.45
Rot. Bonds6

About 6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid

6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid (PubChem CID 81437686) has the molecular formula C9H10N2O6 and a molecular weight of 242.19 g/mol. Its IUPAC name is 6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid
PubChem CID81437686
Molecular FormulaC9H10N2O6
Molecular Weight242.19 g/mol
Exact Mass242.05
IUPAC Name6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OCCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O6/c12-2-1-3-17-8-7(11(15)16)4-6(5-10-8)9(13)14/h4-5,12H,1-3H2,(H,13,14)
InChIKeyAUZWXPLSFXTZBW-UHFFFAOYSA-N
XLogP0.45
TPSA122.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-nitro-6-pent-4-enoxypyridine-3-carboxylic acid
CID 81438368
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-nitropyridine-3-carboxylic acid
CID 115941916
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
6-[(E)-but-2-enoxy]-5-nitropyridine-3-carboxylic acid
CID 81438700
6-butan-2-yloxy-5-nitropyridine-3-carboxylic acid
CID 81437892
6-but-3-yn-2-yloxy-5-nitropyridine-3-carboxylic acid
CID 106794598
3-[2-(3-hydroxypropoxy)-4,5-dinitrophenoxy]propan-1-ol
CID 19604125
5-nitro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-3-carboxylic acid
CID 81440461
6-hydrazinyl-5-nitropyridine-3-carboxylic acid
CID 82862825
6-[(2-ethoxy-2-methylpropyl)amino]-5-nitropyridine-3-carboxylic acid
CID 114942695
ethane;6-methylsulfanyl-5-nitropyridine-3-carboxylic acid
CID 145294948
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid (CID 81437686) is 6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid is O=C(O)c1cnc(OCCCO)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid?
The InChIKey is AUZWXPLSFXTZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O6/c12-2-1-3-17-8-7(11(15)16)4-6(5-10-8)9(13)14/h4-5,12H,1-3H2,(H,13,14).
What are the key properties of 6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid?
6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid has a molecular weight of 242.19 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropoxy)-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 81437686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).