2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine

C17H19NO — CID 170633592

IUPAC2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine
SMILESCc1cccc(C2CCOCC2)c1-c1ccccn1
InChIInChI=1S/C17H19NO/c1-13-5-4-6-15(14-8-11-19-12-9-14)17(13)16-7-2-3-10-18-16/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyQGOYMCKVOJBURF-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.95
Rot. Bonds2

About 2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine

2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine (PubChem CID 170633592) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine
PubChem CID170633592
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine
SMILESCc1cccc(C2CCOCC2)c1-c1ccccn1
InChIInChI=1S/C17H19NO/c1-13-5-4-6-15(14-8-11-19-12-9-14)17(13)16-7-2-3-10-18-16/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyQGOYMCKVOJBURF-UHFFFAOYSA-N
XLogP3.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine?
The IUPAC name of 2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine (CID 170633592) is 2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine.
What is the SMILES notation for 2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine?
The canonical SMILES for 2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine is Cc1cccc(C2CCOCC2)c1-c1ccccn1.
What is the InChIKey of 2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine?
The InChIKey is QGOYMCKVOJBURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-5-4-6-15(14-8-11-19-12-9-14)17(13)16-7-2-3-10-18-16/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of 2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine?
2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine has a molecular weight of 253.35 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(oxan-4-yl)phenyl]pyridine is sourced from PubChem (CID 170633592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).