3-butan-2-yloxypyridine-4-carbonitrile

C10H12N2O — CID 19432811

IUPAC3-butan-2-yloxypyridine-4-carbonitrile
SMILESCCC(C)Oc1cnccc1C#N
InChIInChI=1S/C10H12N2O/c1-3-8(2)13-10-7-12-5-4-9(10)6-11/h4-5,7-8H,3H2,1-2H3
InChIKeyNGJMWASVRZVRQU-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.13
Rot. Bonds3

About 3-butan-2-yloxypyridine-4-carbonitrile

3-butan-2-yloxypyridine-4-carbonitrile (PubChem CID 19432811) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-butan-2-yloxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-butan-2-yloxypyridine-4-carbonitrile
PubChem CID19432811
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-butan-2-yloxypyridine-4-carbonitrile
SMILESCCC(C)Oc1cnccc1C#N
InChIInChI=1S/C10H12N2O/c1-3-8(2)13-10-7-12-5-4-9(10)6-11/h4-5,7-8H,3H2,1-2H3
InChIKeyNGJMWASVRZVRQU-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxypyridine-4-carbonitrile?
The IUPAC name of 3-butan-2-yloxypyridine-4-carbonitrile (CID 19432811) is 3-butan-2-yloxypyridine-4-carbonitrile.
What is the SMILES notation for 3-butan-2-yloxypyridine-4-carbonitrile?
The canonical SMILES for 3-butan-2-yloxypyridine-4-carbonitrile is CCC(C)Oc1cnccc1C#N.
What is the InChIKey of 3-butan-2-yloxypyridine-4-carbonitrile?
The InChIKey is NGJMWASVRZVRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-8(2)13-10-7-12-5-4-9(10)6-11/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 3-butan-2-yloxypyridine-4-carbonitrile?
3-butan-2-yloxypyridine-4-carbonitrile has a molecular weight of 176.22 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 3-butan-2-yloxypyridine-4-carbonitrile is sourced from PubChem (CID 19432811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).