6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile

C19H22N2O — CID 121251915

IUPAC6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile
SMILESCc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C#N)c(C)c1
InChIInChI=1S/C19H22N2O/c1-12-9-13(2)17(14(3)10-12)22-18-15(11-20)7-8-16(21-18)19(4,5)6/h7-10H,1-6H3
InChIKeyYXNBKXHJZCNNBR-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.97
Rot. Bonds2

About 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile

6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile (PubChem CID 121251915) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile
PubChem CID121251915
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile
SMILESCc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C#N)c(C)c1
InChIInChI=1S/C19H22N2O/c1-12-9-13(2)17(14(3)10-12)22-18-15(11-20)7-8-16(21-18)19(4,5)6/h7-10H,1-6H3
InChIKeyYXNBKXHJZCNNBR-UHFFFAOYSA-N
XLogP4.97
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile (CID 121251915) is 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile is Cc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C#N)c(C)c1.
What is the InChIKey of 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile?
The InChIKey is YXNBKXHJZCNNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-12-9-13(2)17(14(3)10-12)22-18-15(11-20)7-8-16(21-18)19(4,5)6/h7-10H,1-6H3.
What are the key properties of 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile?
6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile has a molecular weight of 294.40 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 121251915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).