2-cyclopentyloxy-3-nitropyridine

C10H12N2O3 — CID 124707283

IUPAC2-cyclopentyloxy-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1OC1CCCC1
InChIInChI=1S/C10H12N2O3/c13-12(14)9-6-3-7-11-10(9)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyQKNOMEFDBBQBOO-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.31
Rot. Bonds3

About 2-cyclopentyloxy-3-nitropyridine

2-cyclopentyloxy-3-nitropyridine (PubChem CID 124707283) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-cyclopentyloxy-3-nitropyridine.

Molecular Properties

Compound Name2-cyclopentyloxy-3-nitropyridine
PubChem CID124707283
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-cyclopentyloxy-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1OC1CCCC1
InChIInChI=1S/C10H12N2O3/c13-12(14)9-6-3-7-11-10(9)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyQKNOMEFDBBQBOO-UHFFFAOYSA-N
XLogP2.31
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.31
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-[(1R,3S)-3-methoxycyclohexyl]oxy-3-nitropyridine
CID 58421668
3-nitro-2-(oxan-3-yloxy)pyridine
CID 67395287
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine
CID 129256660
6-cycloheptyloxy-5-nitropyridin-2-amine
CID 80870562
(2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol
CID 10858605
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
2-cyclohexyloxypyridine-3-carbaldehyde
CID 42553139
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine
CID 71144946
3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine
CID 71144755
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-(cyclopropylamino)-3-nitrobenzamide
CID 55659963

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-3-nitropyridine?
The IUPAC name of 2-cyclopentyloxy-3-nitropyridine (CID 124707283) is 2-cyclopentyloxy-3-nitropyridine.
What is the SMILES notation for 2-cyclopentyloxy-3-nitropyridine?
The canonical SMILES for 2-cyclopentyloxy-3-nitropyridine is O=[N+]([O-])c1cccnc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-3-nitropyridine?
The InChIKey is QKNOMEFDBBQBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-12(14)9-6-3-7-11-10(9)15-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2.
What are the key properties of 2-cyclopentyloxy-3-nitropyridine?
2-cyclopentyloxy-3-nitropyridine has a molecular weight of 208.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-3-nitropyridine is sourced from PubChem (CID 124707283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).