6-[(dimethylamino)methyl]pyridine-2-carbonitrile

C9H11N3 — CID 18953890

IUPAC6-[(dimethylamino)methyl]pyridine-2-carbonitrile
SMILESCN(C)Cc1cccc(C#N)n1
InChIInChI=1S/C9H11N3/c1-12(2)7-9-5-3-4-8(6-10)11-9/h3-5H,7H2,1-2H3
InChIKeyRVGXHNVVCXXUIF-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.01
Rot. Bonds2

About 6-[(dimethylamino)methyl]pyridine-2-carbonitrile

6-[(dimethylamino)methyl]pyridine-2-carbonitrile (PubChem CID 18953890) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]pyridine-2-carbonitrile
PubChem CID18953890
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name6-[(dimethylamino)methyl]pyridine-2-carbonitrile
SMILESCN(C)Cc1cccc(C#N)n1
InChIInChI=1S/C9H11N3/c1-12(2)7-9-5-3-4-8(6-10)11-9/h3-5H,7H2,1-2H3
InChIKeyRVGXHNVVCXXUIF-UHFFFAOYSA-N
XLogP1.01
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(dimethylamino)methyl]pyridine-2-carbonitrile (CID 18953890) is 6-[(dimethylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(dimethylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(dimethylamino)methyl]pyridine-2-carbonitrile is CN(C)Cc1cccc(C#N)n1.
What is the InChIKey of 6-[(dimethylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is RVGXHNVVCXXUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-12(2)7-9-5-3-4-8(6-10)11-9/h3-5H,7H2,1-2H3.
What are the key properties of 6-[(dimethylamino)methyl]pyridine-2-carbonitrile?
6-[(dimethylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 18953890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).