2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine

C15H17N3O3 — CID 133334695

IUPAC2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine
SMILESCC1CCN(c2ccc([N+](=O)[O-])cn2)C(c2ccco2)C1
InChIInChI=1S/C15H17N3O3/c1-11-6-7-17(13(9-11)14-3-2-8-21-14)15-5-4-12(10-16-15)18(19)20/h2-5,8,10-11,13H,6-7,9H2,1H3
InChIKeyOABTVPKPTTXOPH-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.56
Rot. Bonds3

About 2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine

2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine (PubChem CID 133334695) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine
PubChem CID133334695
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine
SMILESCC1CCN(c2ccc([N+](=O)[O-])cn2)C(c2ccco2)C1
InChIInChI=1S/C15H17N3O3/c1-11-6-7-17(13(9-11)14-3-2-8-21-14)15-5-4-12(10-16-15)18(19)20/h2-5,8,10-11,13H,6-7,9H2,1H3
InChIKeyOABTVPKPTTXOPH-UHFFFAOYSA-N
XLogP3.56
TPSA72.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
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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Related Compounds

6-[2-(furan-2-yl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazine
CID 133327846
1-[4-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-3-nitrophenyl]sulfonyl-4-methylpiperazine
CID 133334681
4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine
CID 98787488
2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine
CID 153404148
3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine
CID 133304580
(3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine
CID 95973208
4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
CID 16796445
(2R)-4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
CID 95312194
2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-5-nitropyridine
CID 133286851
5-fluoro-2-[2-(furan-2-yl)pyrrolidin-1-yl]pyridine
CID 119040542
(3aS,6aS)-1-(5-nitro-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43599149
4-ethyl-1-(5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 114427543

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine?
The IUPAC name of 2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine (CID 133334695) is 2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine.
What is the SMILES notation for 2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine?
The canonical SMILES for 2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine is CC1CCN(c2ccc([N+](=O)[O-])cn2)C(c2ccco2)C1.
What is the InChIKey of 2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine?
The InChIKey is OABTVPKPTTXOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-6-7-17(13(9-11)14-3-2-8-21-14)15-5-4-12(10-16-15)18(19)20/h2-5,8,10-11,13H,6-7,9H2,1H3.
What are the key properties of 2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine?
2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine has a molecular weight of 287.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine is sourced from PubChem (CID 133334695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).