4-benzyl-2-chloro-6-phenoxypyridine

C18H14ClNO — CID 122602444

IUPAC4-benzyl-2-chloro-6-phenoxypyridine
SMILESClc1cc(Cc2ccccc2)cc(Oc2ccccc2)n1
InChIInChI=1S/C18H14ClNO/c19-17-12-15(11-14-7-3-1-4-8-14)13-18(20-17)21-16-9-5-2-6-10-16/h1-10,12-13H,11H2
InChIKeyGIKXRRYLOSWJEL-UHFFFAOYSA-N
MW295.77 g/mol
LogP5.12
Rot. Bonds4

About 4-benzyl-2-chloro-6-phenoxypyridine

4-benzyl-2-chloro-6-phenoxypyridine (PubChem CID 122602444) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-benzyl-2-chloro-6-phenoxypyridine.

Molecular Properties

Compound Name4-benzyl-2-chloro-6-phenoxypyridine
PubChem CID122602444
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name4-benzyl-2-chloro-6-phenoxypyridine
SMILESClc1cc(Cc2ccccc2)cc(Oc2ccccc2)n1
InChIInChI=1S/C18H14ClNO/c19-17-12-15(11-14-7-3-1-4-8-14)13-18(20-17)21-16-9-5-2-6-10-16/h1-10,12-13H,11H2
InChIKeyGIKXRRYLOSWJEL-UHFFFAOYSA-N
XLogP5.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-chloro-6-phenoxypyridine?
The IUPAC name of 4-benzyl-2-chloro-6-phenoxypyridine (CID 122602444) is 4-benzyl-2-chloro-6-phenoxypyridine.
What is the SMILES notation for 4-benzyl-2-chloro-6-phenoxypyridine?
The canonical SMILES for 4-benzyl-2-chloro-6-phenoxypyridine is Clc1cc(Cc2ccccc2)cc(Oc2ccccc2)n1.
What is the InChIKey of 4-benzyl-2-chloro-6-phenoxypyridine?
The InChIKey is GIKXRRYLOSWJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c19-17-12-15(11-14-7-3-1-4-8-14)13-18(20-17)21-16-9-5-2-6-10-16/h1-10,12-13H,11H2.
What are the key properties of 4-benzyl-2-chloro-6-phenoxypyridine?
4-benzyl-2-chloro-6-phenoxypyridine has a molecular weight of 295.77 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-chloro-6-phenoxypyridine is sourced from PubChem (CID 122602444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).