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

C17H19NO — CID 170633574

IUPAC3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine
SMILESCc1cccnc1-c1ccccc1C1CCOCC1
InChIInChI=1S/C17H19NO/c1-13-5-4-10-18-17(13)16-7-3-2-6-15(16)14-8-11-19-12-9-14/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyQAVHRVMNNFXMGQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.95
Rot. Bonds2

About 3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine

3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine (PubChem CID 170633574) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine
PubChem CID170633574
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine
SMILESCc1cccnc1-c1ccccc1C1CCOCC1
InChIInChI=1S/C17H19NO/c1-13-5-4-10-18-17(13)16-7-3-2-6-15(16)14-8-11-19-12-9-14/h2-7,10,14H,8-9,11-12H2,1H3
InChIKeyQAVHRVMNNFXMGQ-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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Related Compounds

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5-Ethyl-2-pyridineethanol
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5-Phenyl-2-propylpyridine
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Pheniramine N-oxide
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3-(1-Methyl-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540050
3-(1-Ethyl-3,4-dihydronaphthalen-2-yl)-pyridine
CID 6540051
3-(3-Methyl-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540052
3-(4-Methyl-3,4-dihydronaphthalen-2-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine?
The IUPAC name of 3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine (CID 170633574) is 3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine.
What is the SMILES notation for 3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine?
The canonical SMILES for 3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine is Cc1cccnc1-c1ccccc1C1CCOCC1.
What is the InChIKey of 3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine?
The InChIKey is QAVHRVMNNFXMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-5-4-10-18-17(13)16-7-3-2-6-15(16)14-8-11-19-12-9-14/h2-7,10,14H,8-9,11-12H2,1H3.
What are the key properties of 3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine?
3-methyl-2-[2-(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 3-methyl-2-[2-(oxan-4-yl)phenyl]pyridine is sourced from PubChem (CID 170633574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).