3-(dimethylamino)pyridine-2-carbonitrile

C8H9N3 — CID 13415150

IUPAC3-(dimethylamino)pyridine-2-carbonitrile
SMILESCN(C)c1cccnc1C#N
InChIInChI=1S/C8H9N3/c1-11(2)8-4-3-5-10-7(8)6-9/h3-5H,1-2H3
InChIKeyRQVRKBRGGTZDOH-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.02
Rot. Bonds1

About 3-(dimethylamino)pyridine-2-carbonitrile

3-(dimethylamino)pyridine-2-carbonitrile (PubChem CID 13415150) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-(dimethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(dimethylamino)pyridine-2-carbonitrile
PubChem CID13415150
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name3-(dimethylamino)pyridine-2-carbonitrile
SMILESCN(C)c1cccnc1C#N
InChIInChI=1S/C8H9N3/c1-11(2)8-4-3-5-10-7(8)6-9/h3-5H,1-2H3
InChIKeyRQVRKBRGGTZDOH-UHFFFAOYSA-N
XLogP1.02
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-(dimethylamino)pyridine-2-carbonitrile (CID 13415150) is 3-(dimethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(dimethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-(dimethylamino)pyridine-2-carbonitrile is CN(C)c1cccnc1C#N.
What is the InChIKey of 3-(dimethylamino)pyridine-2-carbonitrile?
The InChIKey is RQVRKBRGGTZDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-11(2)8-4-3-5-10-7(8)6-9/h3-5H,1-2H3.
What are the key properties of 3-(dimethylamino)pyridine-2-carbonitrile?
3-(dimethylamino)pyridine-2-carbonitrile has a molecular weight of 147.18 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 13415150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).