2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine

C13H17NO — CID 122392144

IUPAC2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine
SMILESCC1C=CCC(CCc2ccccn2)O1
InChIInChI=1S/C13H17NO/c1-11-5-4-7-13(15-11)9-8-12-6-2-3-10-14-12/h2-6,10-11,13H,7-9H2,1H3
InChIKeyHYXWVYCHDCNYME-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.75
Rot. Bonds3

About 2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine

2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine (PubChem CID 122392144) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine
PubChem CID122392144
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine
SMILESCC1C=CCC(CCc2ccccn2)O1
InChIInChI=1S/C13H17NO/c1-11-5-4-7-13(15-11)9-8-12-6-2-3-10-14-12/h2-6,10-11,13H,7-9H2,1H3
InChIKeyHYXWVYCHDCNYME-UHFFFAOYSA-N
XLogP2.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-(2-fluoroethyl)pyridine
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dimethyl(2-pyridin-2-ylethyl)indigane
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N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
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N-methyl-1-[5-(2-pyridin-2-ylethoxymethyl)oxolan-2-yl]methanamine
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2-(2-pyridin-2-ylethyl)cyclohexan-1-one
CID 12813906
1,7,9-trimethyl-3,5,12-tris(2-pyridin-2-ylethyl)-3,5,12-triazatetracyclo[5.3.1.12,6.04,9]dodecane
CID 10530041

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine?
The IUPAC name of 2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine (CID 122392144) is 2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine is CC1C=CCC(CCc2ccccn2)O1.
What is the InChIKey of 2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine?
The InChIKey is HYXWVYCHDCNYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11-5-4-7-13(15-11)9-8-12-6-2-3-10-14-12/h2-6,10-11,13H,7-9H2,1H3.
What are the key properties of 2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine?
2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine has a molecular weight of 203.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine is sourced from PubChem (CID 122392144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).