3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine

C18H14ClNO — CID 67505374

IUPAC3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine
SMILESCc1cnc(Oc2ccccc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClNO/c1-13-11-17(14-7-9-15(19)10-8-14)18(20-12-13)21-16-5-3-2-4-6-16/h2-12H,1H3
InChIKeyRMFKKBYARFXIID-UHFFFAOYSA-N
MW295.77 g/mol
LogP5.50
Rot. Bonds3

About 3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine

3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine (PubChem CID 67505374) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine
PubChem CID67505374
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine
SMILESCc1cnc(Oc2ccccc2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClNO/c1-13-11-17(14-7-9-15(19)10-8-14)18(20-12-13)21-16-5-3-2-4-6-16/h2-12H,1H3
InChIKeyRMFKKBYARFXIID-UHFFFAOYSA-N
XLogP5.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine (CID 67505374) is 3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine is Cc1cnc(Oc2ccccc2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine?
The InChIKey is RMFKKBYARFXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c1-13-11-17(14-7-9-15(19)10-8-14)18(20-12-13)21-16-5-3-2-4-6-16/h2-12H,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine?
3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine has a molecular weight of 295.77 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-2-phenoxypyridine is sourced from PubChem (CID 67505374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).