2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile

C11H10N2O — CID 106794912

IUPAC2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile
SMILESC#CC(C)Oc1nc(C)ccc1C#N
InChIInChI=1S/C11H10N2O/c1-4-9(3)14-11-10(7-12)6-5-8(2)13-11/h1,5-6,9H,2-3H3
InChIKeyWPWBZXWLQANVMF-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.66
Rot. Bonds2

About 2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile

2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile (PubChem CID 106794912) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile
PubChem CID106794912
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile
SMILESC#CC(C)Oc1nc(C)ccc1C#N
InChIInChI=1S/C11H10N2O/c1-4-9(3)14-11-10(7-12)6-5-8(2)13-11/h1,5-6,9H,2-3H3
InChIKeyWPWBZXWLQANVMF-UHFFFAOYSA-N
XLogP1.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile
CID 130560169
4-but-3-yn-2-yloxy-2-chloropyrimidine-5-carbonitrile
CID 22326747
2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile
CID 114417379
2,6-di(propan-2-yloxy)pyridine-3-carbonitrile
CID 11117559
2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile
CID 114764695
6-methyl-2-(4-methylsulfanylphenoxy)pyridine-3-carbonitrile
CID 63648336
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyridine-3-carbonitrile
CID 81346292
6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile
CID 62348947
4-but-3-yn-2-yloxyquinoline-3-carbonitrile
CID 106794946
2-[(4-chlorophenyl)methoxy]-6-methylpyridine-3-carbonitrile
CID 65126494
3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide
CID 167650233
2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile
CID 62369184

Frequently Asked Questions

What is the IUPAC name of 2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile (CID 106794912) is 2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile is C#CC(C)Oc1nc(C)ccc1C#N.
What is the InChIKey of 2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile?
The InChIKey is WPWBZXWLQANVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-4-9(3)14-11-10(7-12)6-5-8(2)13-11/h1,5-6,9H,2-3H3.
What are the key properties of 2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile?
2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile has a molecular weight of 186.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 106794912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).