4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile

C11H14N2O — CID 2726062

IUPAC4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OC(C)C)n1
InChIInChI=1S/C11H14N2O/c1-7(2)14-11-10(6-12)8(3)5-9(4)13-11/h5,7H,1-4H3
InChIKeyQCYRARPWKZTMGE-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.36
Rot. Bonds2

About 4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile

4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile (PubChem CID 2726062) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile
PubChem CID2726062
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OC(C)C)n1
InChIInChI=1S/C11H14N2O/c1-7(2)14-11-10(6-12)8(3)5-9(4)13-11/h5,7H,1-4H3
InChIKeyQCYRARPWKZTMGE-UHFFFAOYSA-N
XLogP2.36
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile (CID 2726062) is 4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(OC(C)C)n1.
What is the InChIKey of 4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile?
The InChIKey is QCYRARPWKZTMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(2)14-11-10(6-12)8(3)5-9(4)13-11/h5,7H,1-4H3.
What are the key properties of 4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile?
4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-propan-2-yloxypyridine-3-carbonitrile is sourced from PubChem (CID 2726062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).