2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine

C23H17N — CID 129041890

IUPAC2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine
SMILESCc1cc(C#Cc2cc3cc4ccccc4cc3cc2C)ccn1
InChIInChI=1S/C23H17N/c1-16-11-22-14-20-5-3-4-6-21(20)15-23(22)13-19(16)8-7-18-9-10-24-17(2)12-18/h3-6,9-15H,1-2H3
InChIKeyHHNAZERGJJRWOF-UHFFFAOYSA-N
MW307.40 g/mol
LogP5.40
Rot. Bonds

About 2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine

2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine (PubChem CID 129041890) has the molecular formula C23H17N and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine
PubChem CID129041890
Molecular FormulaC23H17N
Molecular Weight307.40 g/mol
Exact Mass307.14
IUPAC Name2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine
SMILESCc1cc(C#Cc2cc3cc4ccccc4cc3cc2C)ccn1
InChIInChI=1S/C23H17N/c1-16-11-22-14-20-5-3-4-6-21(20)15-23(22)13-19(16)8-7-18-9-10-24-17(2)12-18/h3-6,9-15H,1-2H3
InChIKeyHHNAZERGJJRWOF-UHFFFAOYSA-N
XLogP5.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.40
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine?
The IUPAC name of 2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine (CID 129041890) is 2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine.
What is the SMILES notation for 2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine?
The canonical SMILES for 2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine is Cc1cc(C#Cc2cc3cc4ccccc4cc3cc2C)ccn1.
What is the InChIKey of 2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine?
The InChIKey is HHNAZERGJJRWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N/c1-16-11-22-14-20-5-3-4-6-21(20)15-23(22)13-19(16)8-7-18-9-10-24-17(2)12-18/h3-6,9-15H,1-2H3.
What are the key properties of 2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine?
2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine has a molecular weight of 307.40 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(3-methylanthracen-2-yl)ethynyl]pyridine is sourced from PubChem (CID 129041890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).