2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile

C10H13N3 — CID 86586428

IUPAC2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile
SMILESCN(C)C=C1C=CC=NC1CC#N
InChIInChI=1S/C10H13N3/c1-13(2)8-9-4-3-7-12-10(9)5-6-11/h3-4,7-8,10H,5H2,1-2H3
InChIKeyHLQSLDJTORKWDM-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.35
Rot. Bonds2

About 2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile

2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile (PubChem CID 86586428) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile
PubChem CID86586428
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile
SMILESCN(C)C=C1C=CC=NC1CC#N
InChIInChI=1S/C10H13N3/c1-13(2)8-9-4-3-7-12-10(9)5-6-11/h3-4,7-8,10H,5H2,1-2H3
InChIKeyHLQSLDJTORKWDM-UHFFFAOYSA-N
XLogP1.35
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile (CID 86586428) is 2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile is CN(C)C=C1C=CC=NC1CC#N.
What is the InChIKey of 2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile?
The InChIKey is HLQSLDJTORKWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13(2)8-9-4-3-7-12-10(9)5-6-11/h3-4,7-8,10H,5H2,1-2H3.
What are the key properties of 2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile?
2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylaminomethylidene)-2H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 86586428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).