[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol

C11H16N4O3 — CID 80794786

IUPAC[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESCNc1ccc([N+](=O)[O-])c(N2CCCC2CO)n1
InChIInChI=1S/C11H16N4O3/c1-12-10-5-4-9(15(17)18)11(13-10)14-6-2-3-8(14)7-16/h4-5,8,16H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyHDMIQJJNILZBDB-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.99
Rot. Bonds4

About [1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol

[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 80794786) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is [1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
PubChem CID80794786
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESCNc1ccc([N+](=O)[O-])c(N2CCCC2CO)n1
InChIInChI=1S/C11H16N4O3/c1-12-10-5-4-9(15(17)18)11(13-10)14-6-2-3-8(14)7-16/h4-5,8,16H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyHDMIQJJNILZBDB-UHFFFAOYSA-N
XLogP0.99
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.99
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

N-methyl-6-(2-methylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80790379
1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide
CID 80765479
[1-(6-methoxy-3-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636978
6-[2-(hydroxymethyl)azepan-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404730
2-[1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanol
CID 80928301
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114802883
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 80905319
[1-(6-amino-5-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636858
N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136054
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404059
6-(4-cyclopropylpiperazin-1-yl)-N-methyl-5-nitropyridin-2-amine
CID 80779221
[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
CID 114044486

Frequently Asked Questions

What is the IUPAC name of [1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol (CID 80794786) is [1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol is CNc1ccc([N+](=O)[O-])c(N2CCCC2CO)n1.
What is the InChIKey of [1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is HDMIQJJNILZBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-12-10-5-4-9(15(17)18)11(13-10)14-6-2-3-8(14)7-16/h4-5,8,16H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of [1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol?
[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 252.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 80794786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).