2-propan-2-ylpyridine-3,5-dicarbonitrile

C10H9N3 — CID 10261540

IUPAC2-propan-2-ylpyridine-3,5-dicarbonitrile
SMILESCC(C)c1ncc(C#N)cc1C#N
InChIInChI=1S/C10H9N3/c1-7(2)10-9(5-12)3-8(4-11)6-13-10/h3,6-7H,1-2H3
InChIKeyLSZGYZVPZHSIFQ-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.95
Rot. Bonds1

About 2-propan-2-ylpyridine-3,5-dicarbonitrile

2-propan-2-ylpyridine-3,5-dicarbonitrile (PubChem CID 10261540) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-propan-2-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-propan-2-ylpyridine-3,5-dicarbonitrile
PubChem CID10261540
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2-propan-2-ylpyridine-3,5-dicarbonitrile
SMILESCC(C)c1ncc(C#N)cc1C#N
InChIInChI=1S/C10H9N3/c1-7(2)10-9(5-12)3-8(4-11)6-13-10/h3,6-7H,1-2H3
InChIKeyLSZGYZVPZHSIFQ-UHFFFAOYSA-N
XLogP1.95
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-propan-2-ylpyridine-3,5-dicarbonitrile (CID 10261540) is 2-propan-2-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-propan-2-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-propan-2-ylpyridine-3,5-dicarbonitrile is CC(C)c1ncc(C#N)cc1C#N.
What is the InChIKey of 2-propan-2-ylpyridine-3,5-dicarbonitrile?
The InChIKey is LSZGYZVPZHSIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-7(2)10-9(5-12)3-8(4-11)6-13-10/h3,6-7H,1-2H3.
What are the key properties of 2-propan-2-ylpyridine-3,5-dicarbonitrile?
2-propan-2-ylpyridine-3,5-dicarbonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 10261540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).