2-(dimethylamino)pyridine-4-carbonitrile

C8H9N3 — CID 13145257

IUPAC2-(dimethylamino)pyridine-4-carbonitrile
SMILESCN(C)c1cc(C#N)ccn1
InChIInChI=1S/C8H9N3/c1-11(2)8-5-7(6-9)3-4-10-8/h3-5H,1-2H3
InChIKeyMYTZNZISOYDPSD-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.02
Rot. Bonds1

About 2-(dimethylamino)pyridine-4-carbonitrile

2-(dimethylamino)pyridine-4-carbonitrile (PubChem CID 13145257) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(dimethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)pyridine-4-carbonitrile
PubChem CID13145257
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-(dimethylamino)pyridine-4-carbonitrile
SMILESCN(C)c1cc(C#N)ccn1
InChIInChI=1S/C8H9N3/c1-11(2)8-5-7(6-9)3-4-10-8/h3-5H,1-2H3
InChIKeyMYTZNZISOYDPSD-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 2-(dimethylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(dimethylamino)pyridine-4-carbonitrile (CID 13145257) is 2-(dimethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(dimethylamino)pyridine-4-carbonitrile is CN(C)c1cc(C#N)ccn1.
What is the InChIKey of 2-(dimethylamino)pyridine-4-carbonitrile?
The InChIKey is MYTZNZISOYDPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-11(2)8-5-7(6-9)3-4-10-8/h3-5H,1-2H3.
What are the key properties of 2-(dimethylamino)pyridine-4-carbonitrile?
2-(dimethylamino)pyridine-4-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 2-(dimethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 13145257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).