5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline

C14H14N2 — CID 56863104

IUPAC5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1cncc(-c2cccc3c2CCNC3)c1
InChIInChI=1S/C14H14N2/c1-3-11-10-16-8-6-14(11)13(5-1)12-4-2-7-15-9-12/h1-5,7,9,16H,6,8,10H2
InChIKeyCYSKDZPEICZKSH-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.39
Rot. Bonds1

About 5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline

5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 56863104) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID56863104
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
SMILESc1cncc(-c2cccc3c2CCNC3)c1
InChIInChI=1S/C14H14N2/c1-3-11-10-16-8-6-14(11)13(5-1)12-4-2-7-15-9-12/h1-5,7,9,16H,6,8,10H2
InChIKeyCYSKDZPEICZKSH-UHFFFAOYSA-N
XLogP2.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56877313
5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56861224
5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 169122125
5-pyrimidin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 146399003
3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
CID 142525776
N,N-dimethyl-5-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25070235
N-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557847
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one
CID 56869022
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 142671195
8'-pyridin-3-ylspiro[1,3-oxazolidine-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 123860567

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline (CID 56863104) is 5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline is c1cncc(-c2cccc3c2CCNC3)c1.
What is the InChIKey of 5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CYSKDZPEICZKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-3-11-10-16-8-6-14(11)13(5-1)12-4-2-7-15-9-12/h1-5,7,9,16H,6,8,10H2.
What are the key properties of 5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline?
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 210.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 56863104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).