2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol

C15H11NO — CID 123670643

IUPAC2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol
SMILESC=c1ccc(C#Cc2ccccc2O)nc1=C
InChIInChI=1S/C15H11NO/c1-11-7-9-14(16-12(11)2)10-8-13-5-3-4-6-15(13)17/h3-7,9,17H,1-2H2
InChIKeyATQBITHRAFCHEX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.01
Rot. Bonds

About 2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol

2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol (PubChem CID 123670643) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol.

Molecular Properties

Compound Name2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol
PubChem CID123670643
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol
SMILESC=c1ccc(C#Cc2ccccc2O)nc1=C
InChIInChI=1S/C15H11NO/c1-11-7-9-14(16-12(11)2)10-8-13-5-3-4-6-15(13)17/h3-7,9,17H,1-2H2
InChIKeyATQBITHRAFCHEX-UHFFFAOYSA-N
XLogP1.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
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-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol?
The IUPAC name of 2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol (CID 123670643) is 2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol.
What is the SMILES notation for 2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol?
The canonical SMILES for 2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol is C=c1ccc(C#Cc2ccccc2O)nc1=C.
What is the InChIKey of 2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol?
The InChIKey is ATQBITHRAFCHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c1-11-7-9-14(16-12(11)2)10-8-13-5-3-4-6-15(13)17/h3-7,9,17H,1-2H2.
What are the key properties of 2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol?
2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol has a molecular weight of 221.26 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-dimethylidene-2-pyridinyl)ethynyl]phenol is sourced from PubChem (CID 123670643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).