5-nitro-2-pentan-2-yloxypyridine

C10H14N2O3 — CID 143371031

IUPAC5-nitro-2-pentan-2-yloxypyridine
SMILESCCCC(C)Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H14N2O3/c1-3-4-8(2)15-10-6-5-9(7-11-10)12(13)14/h5-8H,3-4H2,1-2H3
InChIKeyVTVRWIOKHAZUIV-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.56
Rot. Bonds5

About 5-nitro-2-pentan-2-yloxypyridine

5-nitro-2-pentan-2-yloxypyridine (PubChem CID 143371031) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-nitro-2-pentan-2-yloxypyridine.

Molecular Properties

Compound Name5-nitro-2-pentan-2-yloxypyridine
PubChem CID143371031
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-nitro-2-pentan-2-yloxypyridine
SMILESCCCC(C)Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H14N2O3/c1-3-4-8(2)15-10-6-5-9(7-11-10)12(13)14/h5-8H,3-4H2,1-2H3
InChIKeyVTVRWIOKHAZUIV-UHFFFAOYSA-N
XLogP2.56
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.56
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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Related Compounds

2-[1-(4-methoxyphenyl)ethoxy]-5-nitropyridine
CID 175518370
2-[1-(4-chlorothiophen-2-yl)ethoxy]-5-nitropyridine
CID 56997377
2-[4-(1-bromoethyl)phenoxy]-5-nitropyridine;2-(4-ethylphenoxy)-5-nitropyridine
CID 161213807
5-pentan-2-yloxypyrazin-2-amine
CID 102988499
N'-hydroxy-6-pentan-2-yloxypyridine-3-carboximidamide
CID 102982006
2-decan-5-yl-5-nitropyridine
CID 129070870
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
2-[2-(4-methylphenyl)ethoxy]-5-nitropyridine
CID 20535520
1-(4-nitrophenyl)-2-pentan-2-yloxyethanone
CID 102982861
2-(2,6-dimethylphenoxy)-5-nitropyridine
CID 12675956
N-ethyl-3-nitro-5-pentan-2-yloxyaniline
CID 102989295
2-(2-azidoethoxy)-5-nitropyridine
CID 59667929

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-pentan-2-yloxypyridine?
The IUPAC name of 5-nitro-2-pentan-2-yloxypyridine (CID 143371031) is 5-nitro-2-pentan-2-yloxypyridine.
What is the SMILES notation for 5-nitro-2-pentan-2-yloxypyridine?
The canonical SMILES for 5-nitro-2-pentan-2-yloxypyridine is CCCC(C)Oc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 5-nitro-2-pentan-2-yloxypyridine?
The InChIKey is VTVRWIOKHAZUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-4-8(2)15-10-6-5-9(7-11-10)12(13)14/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-nitro-2-pentan-2-yloxypyridine?
5-nitro-2-pentan-2-yloxypyridine has a molecular weight of 210.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-pentan-2-yloxypyridine is sourced from PubChem (CID 143371031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).