2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine

C12H16FN3O3 — CID 130268221

IUPAC2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine
SMILESCc1cnc(OC2CCN(C)CC2F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16FN3O3/c1-8-5-10(16(17)18)12(14-6-8)19-11-3-4-15(2)7-9(11)13/h5-6,9,11H,3-4,7H2,1-2H3
InChIKeyXAPLNKHNJONZIH-UHFFFAOYSA-N
MW269.28 g/mol
LogP1.72
Rot. Bonds3

About 2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine

2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine (PubChem CID 130268221) has the molecular formula C12H16FN3O3 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine
PubChem CID130268221
Molecular FormulaC12H16FN3O3
Molecular Weight269.28 g/mol
Exact Mass269.12
IUPAC Name2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine
SMILESCc1cnc(OC2CCN(C)CC2F)c([N+](=O)[O-])c1
InChIInChI=1S/C12H16FN3O3/c1-8-5-10(16(17)18)12(14-6-8)19-11-3-4-15(2)7-9(11)13/h5-6,9,11H,3-4,7H2,1-2H3
InChIKeyXAPLNKHNJONZIH-UHFFFAOYSA-N
XLogP1.72
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
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

5-bromo-2-(1-methylpiperidin-4-yl)oxy-3-nitropyridine
CID 61374363
3-fluoro-1-methyl-4-(5-methyl-4-nitropyrazol-1-yl)piperidine
CID 118288742
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine
CID 100731820
2-[(5-methyl-3-nitro-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 91644101
2-(1-methylpyrrolidin-3-yl)oxy-5-nitropyridine-4-carboxylic acid
CID 112741285
1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine
CID 66279399
5-methyl-3-nitro-2-(piperidin-3-ylmethoxy)pyridine
CID 66277883
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
5-bromo-2-[(1-methylpiperidin-3-yl)methoxy]-3-nitropyridine
CID 165373797
1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-ol
CID 66281161
2,5-dimethyl-3-nitropyridine
CID 12626468

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine?
The IUPAC name of 2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine (CID 130268221) is 2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine.
What is the SMILES notation for 2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine?
The canonical SMILES for 2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine is Cc1cnc(OC2CCN(C)CC2F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine?
The InChIKey is XAPLNKHNJONZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3/c1-8-5-10(16(17)18)12(14-6-8)19-11-3-4-15(2)7-9(11)13/h5-6,9,11H,3-4,7H2,1-2H3.
What are the key properties of 2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine?
2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine has a molecular weight of 269.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1-methylpiperidin-4-yl)oxy-5-methyl-3-nitropyridine is sourced from PubChem (CID 130268221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).