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

C12H17N3O3 — CID 66277883

IUPAC5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine
SMILESCc1cnc(OCC2CCCNC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O3/c1-9-5-11(15(16)17)12(14-6-9)18-8-10-3-2-4-13-7-10/h5-6,10,13H,2-4,7-8H2,1H3
InChIKeyISVABRSRMFNHJA-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.68
Rot. Bonds4

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

5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine (PubChem CID 66277883) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine.

Molecular Properties

Compound Name5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine
PubChem CID66277883
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine
SMILESCc1cnc(OCC2CCCNC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H17N3O3/c1-9-5-11(15(16)17)12(14-6-9)18-8-10-3-2-4-13-7-10/h5-6,10,13H,2-4,7-8H2,1H3
InChIKeyISVABRSRMFNHJA-UHFFFAOYSA-N
XLogP1.68
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.68
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

4-methyl-5-nitro-2-(piperidin-3-ylmethoxy)pyridine
CID 79176367
5-nitro-6-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
CID 103473285
3-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]piperidine
CID 115556271
4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 79176653
5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine
CID 45158681
3-[(4-bromo-2-nitrophenoxy)methyl]piperidine
CID 55211128
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730
3-[(2-fluoro-5-methoxy-4-nitrophenoxy)methyl]piperidine
CID 107260647
3-[(3-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 56830431
6-nitro-4-(piperidin-3-ylmethoxy)quinazoline
CID 64587900
4-methyl-5-nitro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 79176343
N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643758

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine?
The IUPAC name of 5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine (CID 66277883) is 5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine.
What is the SMILES notation for 5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine?
The canonical SMILES for 5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine is Cc1cnc(OCC2CCCNC2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine?
The InChIKey is ISVABRSRMFNHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-5-11(15(16)17)12(14-6-9)18-8-10-3-2-4-13-7-10/h5-6,10,13H,2-4,7-8H2,1H3.
What are the key properties of 5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine?
5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine has a molecular weight of 251.29 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine is sourced from PubChem (CID 66277883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).