2-(4-methylpiperidin-1-yl)-5-nitropyridine

C11H15N3O2 — CID 2849115

IUPAC2-(4-methylpiperidin-1-yl)-5-nitropyridine
SMILESCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H15N3O2/c1-9-4-6-13(7-5-9)11-3-2-10(8-12-11)14(15)16/h2-3,8-9H,4-7H2,1H3
InChIKeyNFSADVUTONODAJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.23
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-5-nitropyridine

2-(4-methylpiperidin-1-yl)-5-nitropyridine (PubChem CID 2849115) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-5-nitropyridine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-5-nitropyridine
PubChem CID2849115
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(4-methylpiperidin-1-yl)-5-nitropyridine
SMILESCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H15N3O2/c1-9-4-6-13(7-5-9)11-3-2-10(8-12-11)14(15)16/h2-3,8-9H,4-7H2,1H3
InChIKeyNFSADVUTONODAJ-UHFFFAOYSA-N
XLogP2.23
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methylpiperidin-1-yl)-5-nitropyridine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-5-nitropyridine (CID 2849115) is 2-(4-methylpiperidin-1-yl)-5-nitropyridine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-5-nitropyridine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-5-nitropyridine is CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-5-nitropyridine?
The InChIKey is NFSADVUTONODAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-9-4-6-13(7-5-9)11-3-2-10(8-12-11)14(15)16/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-5-nitropyridine?
2-(4-methylpiperidin-1-yl)-5-nitropyridine has a molecular weight of 221.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-5-nitropyridine is sourced from PubChem (CID 2849115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).