2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine

C19H19NO — CID 11265885

IUPAC2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine
SMILESCc1cccc(C#CCOc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C19H19NO/c1-15-6-4-9-18(20-15)10-5-13-21-19-12-11-16-7-2-3-8-17(16)14-19/h4,6,9,11-12,14H,2-3,7-8,13H2,1H3
InChIKeyWOFWJVKONSWFIM-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.70
Rot. Bonds2

About 2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine

2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine (PubChem CID 11265885) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine
PubChem CID11265885
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine
SMILESCc1cccc(C#CCOc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C19H19NO/c1-15-6-4-9-18(20-15)10-5-13-21-19-12-11-16-7-2-3-8-17(16)14-19/h4,6,9,11-12,14H,2-3,7-8,13H2,1H3
InChIKeyWOFWJVKONSWFIM-UHFFFAOYSA-N
XLogP3.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine?
The IUPAC name of 2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine (CID 11265885) is 2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine.
What is the SMILES notation for 2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine?
The canonical SMILES for 2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine is Cc1cccc(C#CCOc2ccc3c(c2)CCCC3)n1.
What is the InChIKey of 2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine?
The InChIKey is WOFWJVKONSWFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-15-6-4-9-18(20-15)10-5-13-21-19-12-11-16-7-2-3-8-17(16)14-19/h4,6,9,11-12,14H,2-3,7-8,13H2,1H3.
What are the key properties of 2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine?
2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine has a molecular weight of 277.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)prop-1-ynyl]pyridine is sourced from PubChem (CID 11265885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).