2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile

C11H14N2O — CID 176999811

IUPAC2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile
SMILESCCc1cc(C#N)c(OC(C)C)cn1
InChIInChI=1S/C11H14N2O/c1-4-10-5-9(6-12)11(7-13-10)14-8(2)3/h5,7-8H,4H2,1-3H3
InChIKeyFSFWYPLHXBFADC-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.30
Rot. Bonds3

About 2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile

2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile (PubChem CID 176999811) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile
PubChem CID176999811
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile
SMILESCCc1cc(C#N)c(OC(C)C)cn1
InChIInChI=1S/C11H14N2O/c1-4-10-5-9(6-12)11(7-13-10)14-8(2)3/h5,7-8H,4H2,1-3H3
InChIKeyFSFWYPLHXBFADC-UHFFFAOYSA-N
XLogP2.30
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile?
The IUPAC name of 2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile (CID 176999811) is 2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile.
What is the SMILES notation for 2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile?
The canonical SMILES for 2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile is CCc1cc(C#N)c(OC(C)C)cn1.
What is the InChIKey of 2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile?
The InChIKey is FSFWYPLHXBFADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-10-5-9(6-12)11(7-13-10)14-8(2)3/h5,7-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile?
2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile is sourced from PubChem (CID 176999811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).