1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol

C11H16N4O3 — CID 80823438

IUPAC1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCC(O)C2)n1
InChIInChI=1S/C11H16N4O3/c1-2-12-10-4-3-9(15(17)18)11(13-10)14-6-5-8(16)7-14/h3-4,8,16H,2,5-7H2,1H3,(H,12,13)
InChIKeyCZTXPLQFGPNIAQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.99
Rot. Bonds4

About 1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol

1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 80823438) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
PubChem CID80823438
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
SMILESCCNc1ccc([N+](=O)[O-])c(N2CCC(O)C2)n1
InChIInChI=1S/C11H16N4O3/c1-2-12-10-4-3-9(15(17)18)11(13-10)14-6-5-8(16)7-14/h3-4,8,16H,2,5-7H2,1H3,(H,12,13)
InChIKeyCZTXPLQFGPNIAQ-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-ethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-nitropyridin-2-amine
CID 80844959
N-ethyl-6-(3-methoxypiperidin-1-yl)-5-nitropyridin-2-amine
CID 102971578
N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
CID 80765652
1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-3-ol
CID 80906785
1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103358849
6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine
CID 80778654
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80835304
2-[1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114802883
6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-5-nitropyridin-2-amine
CID 80844291
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80790489
[6-(4-ethoxypiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80898026
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106138108

Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol (CID 80823438) is 1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol is CCNc1ccc([N+](=O)[O-])c(N2CCC(O)C2)n1.
What is the InChIKey of 1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is CZTXPLQFGPNIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-12-10-4-3-9(15(17)18)11(13-10)14-6-5-8(16)7-14/h3-4,8,16H,2,5-7H2,1H3,(H,12,13).
What are the key properties of 1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol?
1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol 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-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 80823438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).