4-(4-tert-butyl-3-nitrophenyl)pyridine

C15H16N2O2 — CID 141338733

IUPAC4-(4-tert-butyl-3-nitrophenyl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O2/c1-15(2,3)13-5-4-12(10-14(13)17(18)19)11-6-8-16-9-7-11/h4-10H,1-3H3
InChIKeyWTKMNNPCOWOMMA-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.95
Rot. Bonds2

About 4-(4-tert-butyl-3-nitrophenyl)pyridine

4-(4-tert-butyl-3-nitrophenyl)pyridine (PubChem CID 141338733) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(4-tert-butyl-3-nitrophenyl)pyridine.

Molecular Properties

Compound Name4-(4-tert-butyl-3-nitrophenyl)pyridine
PubChem CID141338733
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-(4-tert-butyl-3-nitrophenyl)pyridine
SMILESCC(C)(C)c1ccc(-c2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O2/c1-15(2,3)13-5-4-12(10-14(13)17(18)19)11-6-8-16-9-7-11/h4-10H,1-3H3
InChIKeyWTKMNNPCOWOMMA-UHFFFAOYSA-N
XLogP3.95
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-3-nitrophenyl)pyridine?
The IUPAC name of 4-(4-tert-butyl-3-nitrophenyl)pyridine (CID 141338733) is 4-(4-tert-butyl-3-nitrophenyl)pyridine.
What is the SMILES notation for 4-(4-tert-butyl-3-nitrophenyl)pyridine?
The canonical SMILES for 4-(4-tert-butyl-3-nitrophenyl)pyridine is CC(C)(C)c1ccc(-c2ccncc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-tert-butyl-3-nitrophenyl)pyridine?
The InChIKey is WTKMNNPCOWOMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-15(2,3)13-5-4-12(10-14(13)17(18)19)11-6-8-16-9-7-11/h4-10H,1-3H3.
What are the key properties of 4-(4-tert-butyl-3-nitrophenyl)pyridine?
4-(4-tert-butyl-3-nitrophenyl)pyridine has a molecular weight of 256.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-3-nitrophenyl)pyridine is sourced from PubChem (CID 141338733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).