2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile

C14H13N3O — CID 70050897

IUPAC2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESCCCOc1ncc(-c2ccncc2)cc1C#N
InChIInChI=1S/C14H13N3O/c1-2-7-18-14-12(9-15)8-13(10-17-14)11-3-5-16-6-4-11/h3-6,8,10H,2,7H2,1H3
InChIKeyUIQYYBJAKBYHPC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.80
Rot. Bonds4

About 2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile

2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 70050897) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID70050897
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESCCCOc1ncc(-c2ccncc2)cc1C#N
InChIInChI=1S/C14H13N3O/c1-2-7-18-14-12(9-15)8-13(10-17-14)11-3-5-16-6-4-11/h3-6,8,10H,2,7H2,1H3
InChIKeyUIQYYBJAKBYHPC-UHFFFAOYSA-N
XLogP2.80
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile (CID 70050897) is 2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile is CCCOc1ncc(-c2ccncc2)cc1C#N.
What is the InChIKey of 2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is UIQYYBJAKBYHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-7-18-14-12(9-15)8-13(10-17-14)11-3-5-16-6-4-11/h3-6,8,10H,2,7H2,1H3.
What are the key properties of 2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile?
2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 70050897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).