6-(4-aminobut-1-enyl)pyridine-2-carbonitrile

C10H11N3 — CID 170486614

IUPAC6-(4-aminobut-1-enyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(C=CCCN)n1
InChIInChI=1S/C10H11N3/c11-7-2-1-4-9-5-3-6-10(8-12)13-9/h1,3-6H,2,7,11H2
InChIKeyZVCYDYMPHJHLGV-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.32
Rot. Bonds3

About 6-(4-aminobut-1-enyl)pyridine-2-carbonitrile

6-(4-aminobut-1-enyl)pyridine-2-carbonitrile (PubChem CID 170486614) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 6-(4-aminobut-1-enyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-aminobut-1-enyl)pyridine-2-carbonitrile
PubChem CID170486614
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name6-(4-aminobut-1-enyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(C=CCCN)n1
InChIInChI=1S/C10H11N3/c11-7-2-1-4-9-5-3-6-10(8-12)13-9/h1,3-6H,2,7,11H2
InChIKeyZVCYDYMPHJHLGV-UHFFFAOYSA-N
XLogP1.32
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobut-1-enyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(4-aminobut-1-enyl)pyridine-2-carbonitrile (CID 170486614) is 6-(4-aminobut-1-enyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-aminobut-1-enyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(4-aminobut-1-enyl)pyridine-2-carbonitrile is N#Cc1cccc(C=CCCN)n1.
What is the InChIKey of 6-(4-aminobut-1-enyl)pyridine-2-carbonitrile?
The InChIKey is ZVCYDYMPHJHLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-7-2-1-4-9-5-3-6-10(8-12)13-9/h1,3-6H,2,7,11H2.
What are the key properties of 6-(4-aminobut-1-enyl)pyridine-2-carbonitrile?
6-(4-aminobut-1-enyl)pyridine-2-carbonitrile has a molecular weight of 173.22 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobut-1-enyl)pyridine-2-carbonitrile is sourced from PubChem (CID 170486614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).