4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile

C18H20N2O — CID 63510038

IUPAC4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile
SMILESCCc1ccc(Oc2ccnc(C#N)c2)c(C(C)(C)C)c1
InChIInChI=1S/C18H20N2O/c1-5-13-6-7-17(16(10-13)18(2,3)4)21-15-8-9-20-14(11-15)12-19/h6-11H,5H2,1-4H3
InChIKeySGSFGFGSYNLXBB-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.61
Rot. Bonds3

About 4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile

4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile (PubChem CID 63510038) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile
PubChem CID63510038
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile
SMILESCCc1ccc(Oc2ccnc(C#N)c2)c(C(C)(C)C)c1
InChIInChI=1S/C18H20N2O/c1-5-13-6-7-17(16(10-13)18(2,3)4)21-15-8-9-20-14(11-15)12-19/h6-11H,5H2,1-4H3
InChIKeySGSFGFGSYNLXBB-UHFFFAOYSA-N
XLogP4.61
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-tert-butyl-4-ethylphenoxy)benzonitrile
CID 20989459
4-(2-tert-butyl-4-ethylphenoxy)pyrimidin-2-amine
CID 80862418
5-(2-tert-butyl-4-ethylphenoxy)pentanenitrile
CID 60673937
5-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-amine
CID 80663583
4-(2,3-dimethylphenoxy)pyridine-2-carbonitrile
CID 62935721
4-(2-fluorophenoxy)pyridine-2-carbonitrile
CID 62936070
4-(5-fluoro-2-methylphenoxy)pyridine-2-carbonitrile
CID 102981648
4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile
CID 107664726
4-(2-tert-butyl-4-methoxyphenoxy)-2-(chloromethyl)pyridine
CID 63446362
6-(2-tert-butyl-4-ethylphenoxy)-5-methylpyridin-3-amine
CID 63458814
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole
CID 64625478

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile (CID 63510038) is 4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile is CCc1ccc(Oc2ccnc(C#N)c2)c(C(C)(C)C)c1.
What is the InChIKey of 4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile?
The InChIKey is SGSFGFGSYNLXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-5-13-6-7-17(16(10-13)18(2,3)4)21-15-8-9-20-14(11-15)12-19/h6-11H,5H2,1-4H3.
What are the key properties of 4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile?
4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-ethylphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 63510038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).