2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine

C12H16ClN3O3 — CID 102675166

IUPAC2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine
SMILESCOC1CN(c2cc([N+](=O)[O-])cc(Cl)n2)CCC1C
InChIInChI=1S/C12H16ClN3O3/c1-8-3-4-15(7-10(8)19-2)12-6-9(16(17)18)5-11(13)14-12/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyQTRURDROUXBDIK-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.50
Rot. Bonds3

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

2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine (PubChem CID 102675166) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine.

Molecular Properties

Compound Name2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine
PubChem CID102675166
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine
SMILESCOC1CN(c2cc([N+](=O)[O-])cc(Cl)n2)CCC1C
InChIInChI=1S/C12H16ClN3O3/c1-8-3-4-15(7-10(8)19-2)12-6-9(16(17)18)5-11(13)14-12/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyQTRURDROUXBDIK-UHFFFAOYSA-N
XLogP2.50
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.50
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
6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine
CID 102963203
2-chloro-6-(4,4-dimethylpiperidin-1-yl)-4-nitropyridine
CID 113346468
2-chloro-6-(3-ethoxypiperidin-1-yl)-4-nitropyridine
CID 103886477
[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine
CID 102971959
1-(6-chloro-4-nitro-2-pyridinyl)-4-ethylpiperazine
CID 103886373
1-[4-(6-chloro-4-nitro-2-pyridinyl)piperazin-1-yl]ethanone
CID 113345967
1-[4-(chloromethyl)-2-nitrophenyl]-3-methoxy-4-methylpiperidine
CID 102965842
2-(6-chloro-4-nitro-2-pyridinyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103888983
3-(3-methoxy-4-methylpiperidin-1-yl)-4-nitroaniline
CID 122159827
4-(6-chloro-4-nitro-2-pyridinyl)-1,4-thiazepane
CID 103886479
6-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 102971409

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine?
The IUPAC name of 2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine (CID 102675166) is 2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine.
What is the SMILES notation for 2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine?
The canonical SMILES for 2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine is COC1CN(c2cc([N+](=O)[O-])cc(Cl)n2)CCC1C.
What is the InChIKey of 2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine?
The InChIKey is QTRURDROUXBDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-8-3-4-15(7-10(8)19-2)12-6-9(16(17)18)5-11(13)14-12/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine?
2-chloro-6-(3-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine has a molecular weight of 285.73 g/mol, XLogP of 2.50, 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-methoxy-4-methylpiperidin-1-yl)-4-nitropyridine is sourced from PubChem (CID 102675166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).