1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile

C11H11N3 — CID 175920749

IUPAC1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile
SMILESN#CC1C=CCN(c2cccnc2)C1
InChIInChI=1S/C11H11N3/c12-7-10-3-2-6-14(9-10)11-4-1-5-13-8-11/h1-5,8,10H,6,9H2
InChIKeyVDZXKPYQYCIFIV-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.60
Rot. Bonds1

About 1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile

1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile (PubChem CID 175920749) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile
PubChem CID175920749
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile
SMILESN#CC1C=CCN(c2cccnc2)C1
InChIInChI=1S/C11H11N3/c12-7-10-3-2-6-14(9-10)11-4-1-5-13-8-11/h1-5,8,10H,6,9H2
InChIKeyVDZXKPYQYCIFIV-UHFFFAOYSA-N
XLogP1.60
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile?
The IUPAC name of 1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile (CID 175920749) is 1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile.
What is the SMILES notation for 1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile?
The canonical SMILES for 1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile is N#CC1C=CCN(c2cccnc2)C1.
What is the InChIKey of 1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile?
The InChIKey is VDZXKPYQYCIFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-7-10-3-2-6-14(9-10)11-4-1-5-13-8-11/h1-5,8,10H,6,9H2.
What are the key properties of 1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile?
1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3,6-dihydro-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 175920749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).