2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine

C11H14ClN3O3 — CID 113346471

IUPAC2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine
SMILESCOC1CCCN(c2cc([N+](=O)[O-])cc(Cl)n2)C1
InChIInChI=1S/C11H14ClN3O3/c1-18-9-3-2-4-14(7-9)11-6-8(15(16)17)5-10(12)13-11/h5-6,9H,2-4,7H2,1H3
InChIKeyXEQLUDWQHJANPW-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.26
Rot. Bonds3

About 2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine

2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine (PubChem CID 113346471) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine
PubChem CID113346471
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine
SMILESCOC1CCCN(c2cc([N+](=O)[O-])cc(Cl)n2)C1
InChIInChI=1S/C11H14ClN3O3/c1-18-9-3-2-4-14(7-9)11-6-8(15(16)17)5-10(12)13-11/h5-6,9H,2-4,7H2,1H3
InChIKeyXEQLUDWQHJANPW-UHFFFAOYSA-N
XLogP2.26
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine?
The IUPAC name of 2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine (CID 113346471) is 2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine.
What is the SMILES notation for 2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine?
The canonical SMILES for 2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine is COC1CCCN(c2cc([N+](=O)[O-])cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine?
The InChIKey is XEQLUDWQHJANPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-18-9-3-2-4-14(7-9)11-6-8(15(16)17)5-10(12)13-11/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine?
2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine has a molecular weight of 271.70 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine is sourced from PubChem (CID 113346471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).