6-(methylamino)pyridine-2-carbonitrile

C7H7N3 — CID 56972673

IUPAC6-(methylamino)pyridine-2-carbonitrile
SMILESCNc1cccc(C#N)n1
InChIInChI=1S/C7H7N3/c1-9-7-4-2-3-6(5-8)10-7/h2-4H,1H3,(H,9,10)
InChIKeyWELFLNYQARMNAA-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.99
Rot. Bonds1

About 6-(methylamino)pyridine-2-carbonitrile

6-(methylamino)pyridine-2-carbonitrile (PubChem CID 56972673) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 6-(methylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(methylamino)pyridine-2-carbonitrile
PubChem CID56972673
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name6-(methylamino)pyridine-2-carbonitrile
SMILESCNc1cccc(C#N)n1
InChIInChI=1S/C7H7N3/c1-9-7-4-2-3-6(5-8)10-7/h2-4H,1H3,(H,9,10)
InChIKeyWELFLNYQARMNAA-UHFFFAOYSA-N
XLogP0.99
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-(methylamino)pyridine-2-carbonitrile (CID 56972673) is 6-(methylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(methylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(methylamino)pyridine-2-carbonitrile is CNc1cccc(C#N)n1.
What is the InChIKey of 6-(methylamino)pyridine-2-carbonitrile?
The InChIKey is WELFLNYQARMNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-9-7-4-2-3-6(5-8)10-7/h2-4H,1H3,(H,9,10).
What are the key properties of 6-(methylamino)pyridine-2-carbonitrile?
6-(methylamino)pyridine-2-carbonitrile has a molecular weight of 133.15 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 56972673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).