2-nitro-3-(4-phenylbutan-2-yloxy)pyridine

C15H16N2O3 — CID 60529491

IUPAC2-nitro-3-(4-phenylbutan-2-yloxy)pyridine
SMILESCC(CCc1ccccc1)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O3/c1-12(9-10-13-6-3-2-4-7-13)20-14-8-5-11-16-15(14)17(18)19/h2-8,11-12H,9-10H2,1H3
InChIKeyQXWQFABJFCCPCI-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.39
Rot. Bonds6

About 2-nitro-3-(4-phenylbutan-2-yloxy)pyridine

2-nitro-3-(4-phenylbutan-2-yloxy)pyridine (PubChem CID 60529491) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-nitro-3-(4-phenylbutan-2-yloxy)pyridine.

Molecular Properties

Compound Name2-nitro-3-(4-phenylbutan-2-yloxy)pyridine
PubChem CID60529491
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-nitro-3-(4-phenylbutan-2-yloxy)pyridine
SMILESCC(CCc1ccccc1)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O3/c1-12(9-10-13-6-3-2-4-7-13)20-14-8-5-11-16-15(14)17(18)19/h2-8,11-12H,9-10H2,1H3
InChIKeyQXWQFABJFCCPCI-UHFFFAOYSA-N
XLogP3.39
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.39
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

(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
CID 103547811
2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
1-methoxy-4-nitro-2-(4-phenylbutan-2-yloxy)benzene
CID 70163100
3-methoxy-2-nitropyridine
CID 556063
2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide
CID 55213215
N-[(4-methoxyphenyl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 18077542
N-(2-methylsulfanylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42896008
2-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
(2-nitro-3-pyridinyl)oxymethyl 3-methylbutanoate
CID 126825968
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 40662422
methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378

Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-(4-phenylbutan-2-yloxy)pyridine?
The IUPAC name of 2-nitro-3-(4-phenylbutan-2-yloxy)pyridine (CID 60529491) is 2-nitro-3-(4-phenylbutan-2-yloxy)pyridine.
What is the SMILES notation for 2-nitro-3-(4-phenylbutan-2-yloxy)pyridine?
The canonical SMILES for 2-nitro-3-(4-phenylbutan-2-yloxy)pyridine is CC(CCc1ccccc1)Oc1cccnc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-3-(4-phenylbutan-2-yloxy)pyridine?
The InChIKey is QXWQFABJFCCPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-12(9-10-13-6-3-2-4-7-13)20-14-8-5-11-16-15(14)17(18)19/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 2-nitro-3-(4-phenylbutan-2-yloxy)pyridine?
2-nitro-3-(4-phenylbutan-2-yloxy)pyridine has a molecular weight of 272.30 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-3-(4-phenylbutan-2-yloxy)pyridine is sourced from PubChem (CID 60529491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).