5-ethynyl-2-propan-2-yloxypyridine

C10H11NO — CID 74788713

IUPAC5-ethynyl-2-propan-2-yloxypyridine
SMILESC#Cc1ccc(OC(C)C)nc1
InChIInChI=1S/C10H11NO/c1-4-9-5-6-10(11-7-9)12-8(2)3/h1,5-8H,2-3H3
InChIKeyOGLCWVGREXXJMG-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.85
Rot. Bonds2

About 5-ethynyl-2-propan-2-yloxypyridine

5-ethynyl-2-propan-2-yloxypyridine (PubChem CID 74788713) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 5-ethynyl-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name5-ethynyl-2-propan-2-yloxypyridine
PubChem CID74788713
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name5-ethynyl-2-propan-2-yloxypyridine
SMILESC#Cc1ccc(OC(C)C)nc1
InChIInChI=1S/C10H11NO/c1-4-9-5-6-10(11-7-9)12-8(2)3/h1,5-8H,2-3H3
InChIKeyOGLCWVGREXXJMG-UHFFFAOYSA-N
XLogP1.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxypyridine
CID 74201
2-Phenoxynicotinonitrile
CID 84242
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
Pyridine, 2-methoxy-4-(trifluoromethyl)-
CID 18539797
2-Ethoxypyridine
CID 84499
5-Piperidin-1-ylmethyl-2-(3-piperidin-1-yl-propoxy)-pyridine
CID 11666852
(6-Phenoxypyridin-3-yl)methanol
CID 2776502
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
(2-Methoxypyridin-4-yl)methanamine
CID 16227983
Allyl 2-pyridyl ether
CID 79906
2-(Benzyloxy)pyridine
CID 295859
2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-propan-2-yloxypyridine?
The IUPAC name of 5-ethynyl-2-propan-2-yloxypyridine (CID 74788713) is 5-ethynyl-2-propan-2-yloxypyridine.
What is the SMILES notation for 5-ethynyl-2-propan-2-yloxypyridine?
The canonical SMILES for 5-ethynyl-2-propan-2-yloxypyridine is C#Cc1ccc(OC(C)C)nc1.
What is the InChIKey of 5-ethynyl-2-propan-2-yloxypyridine?
The InChIKey is OGLCWVGREXXJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-4-9-5-6-10(11-7-9)12-8(2)3/h1,5-8H,2-3H3.
What are the key properties of 5-ethynyl-2-propan-2-yloxypyridine?
5-ethynyl-2-propan-2-yloxypyridine has a molecular weight of 161.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-propan-2-yloxypyridine is sourced from PubChem (CID 74788713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).