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

C11H10N2O — CID 130560169

IUPAC6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile
SMILESC#CC(C)Oc1ccc(C#N)c(C)n1
InChIInChI=1S/C11H10N2O/c1-4-8(2)14-11-6-5-10(7-12)9(3)13-11/h1,5-6,8H,2-3H3
InChIKeyOIGSNHBKKRSNPR-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.66
Rot. Bonds2

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

6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile (PubChem CID 130560169) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile
PubChem CID130560169
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile
SMILESC#CC(C)Oc1ccc(C#N)c(C)n1
InChIInChI=1S/C11H10N2O/c1-4-8(2)14-11-6-5-10(7-12)9(3)13-11/h1,5-6,8H,2-3H3
InChIKeyOIGSNHBKKRSNPR-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

2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile
CID 106794912
2-methyl-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 176958466
2,6-di(propan-2-yloxy)pyridine-3-carbonitrile
CID 11117559
2-methyl-6-(3-methylbutan-2-yl)pyridine-3-carbonitrile
CID 139473327
4-but-3-yn-2-yloxyquinoline-3-carbonitrile
CID 106794946
4-but-3-yn-2-yloxy-2-chloropyrimidine-5-carbonitrile
CID 22326747
4-but-3-yn-2-yloxy-6-chloro-2-methylpyrimidine
CID 106794793
2-methyl-6-(4-methylsulfonylphenoxy)pyridine-3-carbonitrile
CID 53416000
3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide
CID 167650233
2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile
CID 114417379
6-(aminomethyl)-2-methylpyridine-3-carbonitrile
CID 82502522
5-but-3-yn-2-yloxy-2-(trifluoromethyl)benzonitrile
CID 106794916

Frequently Asked Questions

What is the IUPAC name of 6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile (CID 130560169) is 6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile is C#CC(C)Oc1ccc(C#N)c(C)n1.
What is the InChIKey of 6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile?
The InChIKey is OIGSNHBKKRSNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-4-8(2)14-11-6-5-10(7-12)9(3)13-11/h1,5-6,8H,2-3H3.
What are the key properties of 6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile?
6-but-3-yn-2-yloxy-2-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 6-but-3-yn-2-yloxy-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 130560169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).