3-[2-(3-methylphenyl)ethynyl]pyridine

C14H11N — CID 67047652

IUPAC3-[2-(3-methylphenyl)ethynyl]pyridine
SMILESCc1cccc(C#Cc2cccnc2)c1
InChIInChI=1S/C14H11N/c1-12-4-2-5-13(10-12)7-8-14-6-3-9-15-11-14/h2-6,9-11H,1H3
InChIKeyFCIIZVCIFHFHMY-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.79
Rot. Bonds

About 3-[2-(3-methylphenyl)ethynyl]pyridine

3-[2-(3-methylphenyl)ethynyl]pyridine (PubChem CID 67047652) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)ethynyl]pyridine.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)ethynyl]pyridine
PubChem CID67047652
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name3-[2-(3-methylphenyl)ethynyl]pyridine
SMILESCc1cccc(C#Cc2cccnc2)c1
InChIInChI=1S/C14H11N/c1-12-4-2-5-13(10-12)7-8-14-6-3-9-15-11-14/h2-6,9-11H,1H3
InChIKeyFCIIZVCIFHFHMY-UHFFFAOYSA-N
XLogP2.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methylphenyl)ethynyl]pyridine
CID 11252533
5-[2-(3-methylphenyl)ethynyl]pyridin-3-ol
CID 178145930
3-[2-(3-chlorophenyl)ethynyl]pyridine;hydrochloride
CID 67048219
3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine
CID 11960784
ethane;1-methyl-3,5-bis[2-(3-methylphenyl)ethynyl]benzene
CID 145152115
3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 71527861
1-methyl-3-[6-(3-methylphenyl)hexa-1,3,5-triynyl]benzene
CID 58986459
2-(3-methylphenyl)ethynamine
CID 139714953
2-[2-(3-hydroxyphenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one;2-[2-(3-methylphenyl)ethynyl]-7,8-dihydro-6H-quinolin-5-one;2-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one;2-(2-pyridin-3-ylethynyl)-7,8-dihydro-6H-quinolin-5-one
CID 173140838
N-hydroxy-3-(2-pyridin-3-ylethynyl)benzamide
CID 91212656
N-methyl-4-(2-pyridin-3-ylethynyl)aniline
CID 151245112
2-[2-(3-methylphenyl)ethynyl]pyridine-3-carbaldehyde
CID 50899890

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)ethynyl]pyridine?
The IUPAC name of 3-[2-(3-methylphenyl)ethynyl]pyridine (CID 67047652) is 3-[2-(3-methylphenyl)ethynyl]pyridine.
What is the SMILES notation for 3-[2-(3-methylphenyl)ethynyl]pyridine?
The canonical SMILES for 3-[2-(3-methylphenyl)ethynyl]pyridine is Cc1cccc(C#Cc2cccnc2)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)ethynyl]pyridine?
The InChIKey is FCIIZVCIFHFHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-12-4-2-5-13(10-12)7-8-14-6-3-9-15-11-14/h2-6,9-11H,1H3.
What are the key properties of 3-[2-(3-methylphenyl)ethynyl]pyridine?
3-[2-(3-methylphenyl)ethynyl]pyridine has a molecular weight of 193.25 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)ethynyl]pyridine is sourced from PubChem (CID 67047652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).