6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile

C16H12N2 — CID 25180107

IUPAC6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile
SMILESN#CC1=Cc2ccc(-c3cccnc3)cc2CC1
InChIInChI=1S/C16H12N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-2,5-9,11H,3-4H2
InChIKeyABEYVGWQDFHEFT-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.60
Rot. Bonds1

About 6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile

6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile (PubChem CID 25180107) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile
PubChem CID25180107
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile
SMILESN#CC1=Cc2ccc(-c3cccnc3)cc2CC1
InChIInChI=1S/C16H12N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-2,5-9,11H,3-4H2
InChIKeyABEYVGWQDFHEFT-UHFFFAOYSA-N
XLogP3.60
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile?
The IUPAC name of 6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile (CID 25180107) is 6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile is N#CC1=Cc2ccc(-c3cccnc3)cc2CC1.
What is the InChIKey of 6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile?
The InChIKey is ABEYVGWQDFHEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-2,5-9,11H,3-4H2.
What are the key properties of 6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile?
6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-3,4-dihydronaphthalene-2-carbonitrile is sourced from PubChem (CID 25180107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).