6-(1-cyclopropylethoxy)pyridine-3-carbonitrile

C11H12N2O — CID 126955007

IUPAC6-(1-cyclopropylethoxy)pyridine-3-carbonitrile
SMILESCC(Oc1ccc(C#N)cn1)C1CC1
InChIInChI=1S/C11H12N2O/c1-8(10-3-4-10)14-11-5-2-9(6-12)7-13-11/h2,5,7-8,10H,3-4H2,1H3
InChIKeyKJXQICPXMARQJA-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.13
Rot. Bonds3

About 6-(1-cyclopropylethoxy)pyridine-3-carbonitrile

6-(1-cyclopropylethoxy)pyridine-3-carbonitrile (PubChem CID 126955007) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-(1-cyclopropylethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-cyclopropylethoxy)pyridine-3-carbonitrile
PubChem CID126955007
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-(1-cyclopropylethoxy)pyridine-3-carbonitrile
SMILESCC(Oc1ccc(C#N)cn1)C1CC1
InChIInChI=1S/C11H12N2O/c1-8(10-3-4-10)14-11-5-2-9(6-12)7-13-11/h2,5,7-8,10H,3-4H2,1H3
InChIKeyKJXQICPXMARQJA-UHFFFAOYSA-N
XLogP2.13
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-cyclopropylethoxy)pyridine-3-carbonitrile (CID 126955007) is 6-(1-cyclopropylethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-cyclopropylethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-cyclopropylethoxy)pyridine-3-carbonitrile is CC(Oc1ccc(C#N)cn1)C1CC1.
What is the InChIKey of 6-(1-cyclopropylethoxy)pyridine-3-carbonitrile?
The InChIKey is KJXQICPXMARQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8(10-3-4-10)14-11-5-2-9(6-12)7-13-11/h2,5,7-8,10H,3-4H2,1H3.
What are the key properties of 6-(1-cyclopropylethoxy)pyridine-3-carbonitrile?
6-(1-cyclopropylethoxy)pyridine-3-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 126955007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).