2-ethynyl-5-methoxypyridine

C16H14N2O2 — CID 175407476

IUPAC2-ethynyl-5-methoxypyridine
SMILESC#Cc1ccc(OC)cn1.C#Cc1ccc(OC)cn1
InChIInChI=1S/2C8H7NO/c2*1-3-7-4-5-8(10-2)6-9-7/h2*1,4-6H,2H3
InChIKeyONDLGVSJFMFHJV-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.14
Rot. Bonds2

About 2-ethynyl-5-methoxypyridine

2-ethynyl-5-methoxypyridine (PubChem CID 175407476) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-ethynyl-5-methoxypyridine.

Molecular Properties

Compound Name2-ethynyl-5-methoxypyridine
PubChem CID175407476
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-ethynyl-5-methoxypyridine
SMILESC#Cc1ccc(OC)cn1.C#Cc1ccc(OC)cn1
InChIInChI=1S/2C8H7NO/c2*1-3-7-4-5-8(10-2)6-9-7/h2*1,4-6H,2H3
InChIKeyONDLGVSJFMFHJV-UHFFFAOYSA-N
XLogP2.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid
CID 155337399
2-(5-methoxy-2-pyridinyl)ethynyl thiohypoiodite
CID 153356176
5-tert-butyl-2-ethynylpyridine
CID 74788346
CID 89082455
CID 89082455
(6-ethynyl-3-pyridinyl)hydrazine
CID 74892196
5-methoxy-2-[2-(4-octylphenyl)ethynyl]pyridine
CID 19984898
5-methoxy-N-propylpyridin-2-amine
CID 106503925
5-methoxy-2-propylpyridine
CID 129127600
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
5-methoxy-2-[(2-methylpropan-2-yl)oxy]pyridine
CID 174590597
2-ethylsulfanyl-5-methoxypyridine
CID 134311187
1-methoxy-4-prop-2-ynylbenzene
CID 10773115

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-5-methoxypyridine?
The IUPAC name of 2-ethynyl-5-methoxypyridine (CID 175407476) is 2-ethynyl-5-methoxypyridine.
What is the SMILES notation for 2-ethynyl-5-methoxypyridine?
The canonical SMILES for 2-ethynyl-5-methoxypyridine is C#Cc1ccc(OC)cn1.C#Cc1ccc(OC)cn1.
What is the InChIKey of 2-ethynyl-5-methoxypyridine?
The InChIKey is ONDLGVSJFMFHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7NO/c2*1-3-7-4-5-8(10-2)6-9-7/h2*1,4-6H,2H3.
What are the key properties of 2-ethynyl-5-methoxypyridine?
2-ethynyl-5-methoxypyridine has a molecular weight of 266.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-5-methoxypyridine is sourced from PubChem (CID 175407476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).