1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol

C11H16N4O3 — CID 112627940

IUPAC1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc([N+](=O)[O-])c(N)n2)C1
InChIInChI=1S/C11H16N4O3/c1-7(16)8-4-5-14(6-8)10-3-2-9(15(17)18)11(12)13-10/h2-3,7-8,16H,4-6H2,1H3,(H2,12,13)
InChIKeyWRGHLFBXEGGNRV-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.78
Rot. Bonds3

About 1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol

1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol (PubChem CID 112627940) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
PubChem CID112627940
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ccc([N+](=O)[O-])c(N)n2)C1
InChIInChI=1S/C11H16N4O3/c1-7(16)8-4-5-14(6-8)10-3-2-9(15(17)18)11(12)13-10/h2-3,7-8,16H,4-6H2,1H3,(H2,12,13)
InChIKeyWRGHLFBXEGGNRV-UHFFFAOYSA-N
XLogP0.78
TPSA105.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.78
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-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816167
1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79825655
6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine
CID 114238626
1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198490
1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112624182
3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine
CID 79827982
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
CID 103577786
1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79827817
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718980
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718979
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-nitropyridin-2-amine
CID 113336387
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol (CID 112627940) is 1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ccc([N+](=O)[O-])c(N)n2)C1.
What is the InChIKey of 1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The InChIKey is WRGHLFBXEGGNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7(16)8-4-5-14(6-8)10-3-2-9(15(17)18)11(12)13-10/h2-3,7-8,16H,4-6H2,1H3,(H2,12,13).
What are the key properties of 1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol?
1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol has a molecular weight of 252.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).