3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine

C13H19N3O3 — CID 62475730

IUPAC3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
SMILESCc1cc([N+](=O)[O-])cnc1OCCC1CCCNC1
InChIInChI=1S/C13H19N3O3/c1-10-7-12(16(17)18)9-15-13(10)19-6-4-11-3-2-5-14-8-11/h7,9,11,14H,2-6,8H2,1H3
InChIKeyFCOORJPVYMWMKQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.07
Rot. Bonds5

About 3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine

3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine (PubChem CID 62475730) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine.

Molecular Properties

Compound Name3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
PubChem CID62475730
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
SMILESCc1cc([N+](=O)[O-])cnc1OCCC1CCCNC1
InChIInChI=1S/C13H19N3O3/c1-10-7-12(16(17)18)9-15-13(10)19-6-4-11-3-2-5-14-8-11/h7,9,11,14H,2-6,8H2,1H3
InChIKeyFCOORJPVYMWMKQ-UHFFFAOYSA-N
XLogP2.07
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.07
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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Related Compounds

5-nitro-2-(2-piperidin-3-ylethoxy)pyridine-3-carboxamide
CID 62358030
4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 79176653
(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
3-[2-(2-methyl-4-nitrophenoxy)ethyl]pyrrolidine
CID 114796274
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine
CID 114416727
2-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248421
6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline
CID 97177904
2-[(3-methyl-5-nitro-2-pyridinyl)oxy]ethanamine
CID 62476059
2-methyl-3-[2-[(3R)-piperidin-3-yl]ethoxy]pyrazine
CID 97163244
5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine
CID 66277883
3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine
CID 62357182

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine?
The IUPAC name of 3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine (CID 62475730) is 3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine.
What is the SMILES notation for 3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine?
The canonical SMILES for 3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine is Cc1cc([N+](=O)[O-])cnc1OCCC1CCCNC1.
What is the InChIKey of 3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine?
The InChIKey is FCOORJPVYMWMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-7-12(16(17)18)9-15-13(10)19-6-4-11-3-2-5-14-8-11/h7,9,11,14H,2-6,8H2,1H3.
What are the key properties of 3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine?
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine has a molecular weight of 265.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine is sourced from PubChem (CID 62475730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).