2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile

C15H13N3 — CID 17221175

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C15H13N3/c16-10-13-6-3-8-17-15(13)18-9-7-12-4-1-2-5-14(12)11-18/h1-6,8H,7,9,11H2
InChIKeyQTPARYQPKQDVAT-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.52
Rot. Bonds1

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile

2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile (PubChem CID 17221175) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
PubChem CID17221175
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCc2ccccc2C1
InChIInChI=1S/C15H13N3/c16-10-13-6-3-8-17-15(13)18-9-7-12-4-1-2-5-14(12)11-18/h1-6,8H,7,9,11H2
InChIKeyQTPARYQPKQDVAT-UHFFFAOYSA-N
XLogP2.52
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile (CID 17221175) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile?
The InChIKey is QTPARYQPKQDVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-10-13-6-3-8-17-15(13)18-9-7-12-4-1-2-5-14(12)11-18/h1-6,8H,7,9,11H2.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile?
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 17221175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).