6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid

C13H17N3O5 — CID 106836186

IUPAC6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid
SMILESCC(O)C1CCN(c2nc(C(=O)O)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H17N3O5/c1-8(17)9-4-6-15(7-5-9)12-11(16(20)21)3-2-10(14-12)13(18)19/h2-3,8-9,17H,4-7H2,1H3,(H,18,19)
InChIKeyFFFTWAKHTNOWGA-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.29
Rot. Bonds4

About 6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid

6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid (PubChem CID 106836186) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid
PubChem CID106836186
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid
SMILESCC(O)C1CCN(c2nc(C(=O)O)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H17N3O5/c1-8(17)9-4-6-15(7-5-9)12-11(16(20)21)3-2-10(14-12)13(18)19/h2-3,8-9,17H,4-7H2,1H3,(H,18,19)
InChIKeyFFFTWAKHTNOWGA-UHFFFAOYSA-N
XLogP1.29
TPSA116.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
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

6-(azepan-1-yl)-5-nitropyridine-2-carboxylic acid
CID 114403402
6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404163
4-[4-(1-hydroxyethyl)piperidin-1-yl]-3-nitrobenzoic acid
CID 106836203
6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 104967595
5-nitro-6-(1,4-oxazepan-4-yl)pyridine-2-carboxylic acid
CID 114404068
1-[1-(3-nitro-4-pyridinyl)piperidin-4-yl]ethanol
CID 113234220
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-nitropyridine-2-carboxylic acid
CID 114404310
6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-5-nitropyridine-2-carboxylic acid
CID 102889214
5-nitro-6-(5-oxo-1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 114404077
1-[1-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]piperidin-4-yl]ethanol
CID 106836482
1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112627940
6-[2-(hydroxymethyl)azepan-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404730

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid (CID 106836186) is 6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid is CC(O)C1CCN(c2nc(C(=O)O)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid?
The InChIKey is FFFTWAKHTNOWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-8(17)9-4-6-15(7-5-9)12-11(16(20)21)3-2-10(14-12)13(18)19/h2-3,8-9,17H,4-7H2,1H3,(H,18,19).
What are the key properties of 6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid?
6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-hydroxyethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 106836186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).