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

C12H16ClN3O3 — CID 103886477

IUPAC2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine
SMILESCCOC1CCCN(c2cc([N+](=O)[O-])cc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O3/c1-2-19-10-4-3-5-15(8-10)12-7-9(16(17)18)6-11(13)14-12/h6-7,10H,2-5,8H2,1H3
InChIKeyDNKZFJWRJPLYPC-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.65
Rot. Bonds4

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

2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine (PubChem CID 103886477) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine
PubChem CID103886477
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine
SMILESCCOC1CCCN(c2cc([N+](=O)[O-])cc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O3/c1-2-19-10-4-3-5-15(8-10)12-7-9(16(17)18)6-11(13)14-12/h6-7,10H,2-5,8H2,1H3
InChIKeyDNKZFJWRJPLYPC-UHFFFAOYSA-N
XLogP2.65
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.65
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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Related Compounds

2-chloro-6-(3-methoxypiperidin-1-yl)-4-nitropyridine
CID 113346471
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775
2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine
CID 102675166
2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 83073559
1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine
CID 103886373
2-chloro-6-(4,4-dimethylpiperidin-1-yl)-4-nitropyridine
CID 113346468
4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
CID 80953514
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 114562432
4-(6-chloro-4-nitro-2-pyridinyl)-1,4-thiazepane
CID 103886479
3-(3-ethoxypiperidin-1-yl)-2-nitroaniline
CID 80805662
6-chloro-2-(3-ethoxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380136
2-(6-chloro-4-nitro-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103888983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine?
The IUPAC name of 2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine (CID 103886477) is 2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine.
What is the SMILES notation for 2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine?
The canonical SMILES for 2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine is CCOC1CCCN(c2cc([N+](=O)[O-])cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine?
The InChIKey is DNKZFJWRJPLYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-2-19-10-4-3-5-15(8-10)12-7-9(16(17)18)6-11(13)14-12/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine?
2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine has a molecular weight of 285.73 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine is sourced from PubChem (CID 103886477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).