6-(propan-2-yloxymethyl)pyridine-3-carbonitrile

C10H12N2O — CID 58495606

IUPAC6-(propan-2-yloxymethyl)pyridine-3-carbonitrile
SMILESCC(C)OCc1ccc(C#N)cn1
InChIInChI=1S/C10H12N2O/c1-8(2)13-7-10-4-3-9(5-11)6-12-10/h3-4,6,8H,7H2,1-2H3
InChIKeyPWDRLQJWXVVALT-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.88
Rot. Bonds3

About 6-(propan-2-yloxymethyl)pyridine-3-carbonitrile

6-(propan-2-yloxymethyl)pyridine-3-carbonitrile (PubChem CID 58495606) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-(propan-2-yloxymethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(propan-2-yloxymethyl)pyridine-3-carbonitrile
PubChem CID58495606
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-(propan-2-yloxymethyl)pyridine-3-carbonitrile
SMILESCC(C)OCc1ccc(C#N)cn1
InChIInChI=1S/C10H12N2O/c1-8(2)13-7-10-4-3-9(5-11)6-12-10/h3-4,6,8H,7H2,1-2H3
InChIKeyPWDRLQJWXVVALT-UHFFFAOYSA-N
XLogP1.88
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-yloxymethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(propan-2-yloxymethyl)pyridine-3-carbonitrile (CID 58495606) is 6-(propan-2-yloxymethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(propan-2-yloxymethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(propan-2-yloxymethyl)pyridine-3-carbonitrile is CC(C)OCc1ccc(C#N)cn1.
What is the InChIKey of 6-(propan-2-yloxymethyl)pyridine-3-carbonitrile?
The InChIKey is PWDRLQJWXVVALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8(2)13-7-10-4-3-9(5-11)6-12-10/h3-4,6,8H,7H2,1-2H3.
What are the key properties of 6-(propan-2-yloxymethyl)pyridine-3-carbonitrile?
6-(propan-2-yloxymethyl)pyridine-3-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-yloxymethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 58495606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).