2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile

C15H13N3 — CID 12519881

IUPAC2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile
SMILESN#CC1CCCc2nc(-c3ccccn3)ccc21
InChIInChI=1S/C15H13N3/c16-10-11-4-3-6-13-12(11)7-8-15(18-13)14-5-1-2-9-17-14/h1-2,5,7-9,11H,3-4,6H2
InChIKeyBJMQMEHYYHPPOH-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.09
Rot. Bonds1

About 2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile

2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile (PubChem CID 12519881) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile.

Molecular Properties

Compound Name2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile
PubChem CID12519881
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile
SMILESN#CC1CCCc2nc(-c3ccccn3)ccc21
InChIInChI=1S/C15H13N3/c16-10-11-4-3-6-13-12(11)7-8-15(18-13)14-5-1-2-9-17-14/h1-2,5,7-9,11H,3-4,6H2
InChIKeyBJMQMEHYYHPPOH-UHFFFAOYSA-N
XLogP3.09
TPSA49.57 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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile?
The IUPAC name of 2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile (CID 12519881) is 2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile.
What is the SMILES notation for 2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile?
The canonical SMILES for 2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile is N#CC1CCCc2nc(-c3ccccn3)ccc21.
What is the InChIKey of 2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile?
The InChIKey is BJMQMEHYYHPPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-10-11-4-3-6-13-12(11)7-8-15(18-13)14-5-1-2-9-17-14/h1-2,5,7-9,11H,3-4,6H2.
What are the key properties of 2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile?
2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5,6,7,8-tetrahydroquinoline-5-carbonitrile is sourced from PubChem (CID 12519881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).