2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine

C21H17N3O3 — CID 71271135

IUPAC2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1ncccc1/C=C1\c2ccccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C21H17N3O3/c22-9-11-27-21-14(4-3-10-23-21)12-19-17-6-2-1-5-16(17)18-8-7-15(24(25)26)13-20(18)19/h1-8,10,12-13H,9,11,22H2/b19-12+
InChIKeyPSTOZJZIPPUYHT-XDHOZWIPSA-N
MW359.39 g/mol
LogP3.90
Rot. Bonds5

About 2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine

2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine (PubChem CID 71271135) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine
PubChem CID71271135
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1ncccc1/C=C1\c2ccccc2-c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C21H17N3O3/c22-9-11-27-21-14(4-3-10-23-21)12-19-17-6-2-1-5-16(17)18-8-7-15(24(25)26)13-20(18)19/h1-8,10,12-13H,9,11,22H2/b19-12+
InChIKeyPSTOZJZIPPUYHT-XDHOZWIPSA-N
XLogP3.90
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine?
The IUPAC name of 2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine (CID 71271135) is 2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine.
What is the SMILES notation for 2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine?
The canonical SMILES for 2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine is NCCOc1ncccc1/C=C1\c2ccccc2-c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine?
The InChIKey is PSTOZJZIPPUYHT-XDHOZWIPSA-N. The full InChI is InChI=1S/C21H17N3O3/c22-9-11-27-21-14(4-3-10-23-21)12-19-17-6-2-1-5-16(17)18-8-7-15(24(25)26)13-20(18)19/h1-8,10,12-13H,9,11,22H2/b19-12+.
What are the key properties of 2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine?
2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine has a molecular weight of 359.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 71271135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).