2-ethynyl-6-methylpyridine

C8H7N — CID 13400635

IUPAC2-ethynyl-6-methylpyridine
SMILESC#Cc1cccc(C)n1
InChIInChI=1S/C8H7N/c1-3-8-6-4-5-7(2)9-8/h1,4-6H,2H3
InChIKeyRUFOVPQUNXLVFW-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.37
Rot. Bonds

About 2-ethynyl-6-methylpyridine

2-ethynyl-6-methylpyridine (PubChem CID 13400635) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-ethynyl-6-methylpyridine.

Molecular Properties

Compound Name2-ethynyl-6-methylpyridine
PubChem CID13400635
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name2-ethynyl-6-methylpyridine
SMILESC#Cc1cccc(C)n1
InChIInChI=1S/C8H7N/c1-3-8-6-4-5-7(2)9-8/h1,4-6H,2H3
InChIKeyRUFOVPQUNXLVFW-UHFFFAOYSA-N
XLogP1.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.37
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

CID 7937
CID 7937
CID 69320
CID 69320
CID 7953
CID 7953
CID 16800
CID 16800
CID 7523
CID 7523
CID 3025961
CID 3025961
CID 78750
CID 78750
CID 5311432
CID 5311432
CID 15100
CID 15100
CID 20445
CID 20445
CID 14287
CID 14287
CID 14083
CID 14083

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-6-methylpyridine?
The IUPAC name of 2-ethynyl-6-methylpyridine (CID 13400635) is 2-ethynyl-6-methylpyridine.
What is the SMILES notation for 2-ethynyl-6-methylpyridine?
The canonical SMILES for 2-ethynyl-6-methylpyridine is C#Cc1cccc(C)n1.
What is the InChIKey of 2-ethynyl-6-methylpyridine?
The InChIKey is RUFOVPQUNXLVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-3-8-6-4-5-7(2)9-8/h1,4-6H,2H3.
What are the key properties of 2-ethynyl-6-methylpyridine?
2-ethynyl-6-methylpyridine has a molecular weight of 117.15 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-6-methylpyridine is sourced from PubChem (CID 13400635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).