2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine

C15H12Cl2N2O3 — CID 88936641

IUPAC2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1ccc(OC2CCC2)cc1-c1cc(Cl)ncc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-13-8-18-15(17)7-11(13)12-6-10(22-9-2-1-3-9)4-5-14(12)19(20)21/h4-9H,1-3H2
InChIKeyNULYVSNEIVJTNV-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.89
Rot. Bonds4

About 2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine

2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine (PubChem CID 88936641) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine.

Molecular Properties

Compound Name2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine
PubChem CID88936641
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine
SMILESO=[N+]([O-])c1ccc(OC2CCC2)cc1-c1cc(Cl)ncc1Cl
InChIInChI=1S/C15H12Cl2N2O3/c16-13-8-18-15(17)7-11(13)12-6-10(22-9-2-1-3-9)4-5-14(12)19(20)21/h4-9H,1-3H2
InChIKeyNULYVSNEIVJTNV-UHFFFAOYSA-N
XLogP4.89
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine?
The IUPAC name of 2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine (CID 88936641) is 2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine.
What is the SMILES notation for 2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine?
The canonical SMILES for 2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine is O=[N+]([O-])c1ccc(OC2CCC2)cc1-c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine?
The InChIKey is NULYVSNEIVJTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-13-8-18-15(17)7-11(13)12-6-10(22-9-2-1-3-9)4-5-14(12)19(20)21/h4-9H,1-3H2.
What are the key properties of 2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine?
2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine has a molecular weight of 339.18 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(5-cyclobutyloxy-2-nitrophenyl)pyridine is sourced from PubChem (CID 88936641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).