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

C15H16N2 — CID 82583621

IUPAC4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CNCc2cccc(-c3ccccn3)c21
InChIInChI=1S/C15H16N2/c1-11-9-16-10-12-5-4-6-13(15(11)12)14-7-2-3-8-17-14/h2-8,11,16H,9-10H2,1H3
InChIKeyHDFLGIUAKBKDJY-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.96
Rot. Bonds1

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

4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82583621) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID82583621
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CNCc2cccc(-c3ccccn3)c21
InChIInChI=1S/C15H16N2/c1-11-9-16-10-12-5-4-6-13(15(11)12)14-7-2-3-8-17-14/h2-8,11,16H,9-10H2,1H3
InChIKeyHDFLGIUAKBKDJY-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8R)-8-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 86311748
5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11287869
(5S)-5-methyl-7-pyridin-2-yl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 69445353
N-(2-methoxyphenyl)-4-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82583117
2-(2-methylphenyl)pyridine
CID 144596153
2-(2-methylselanylphenyl)pyridine
CID 139264776
2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 156810376
cesium 2,6-dipyridin-2-ylphenolate
CID 59522981
2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
3,5-bis[(2-pyridin-2-ylphenyl)methylidene]piperidin-4-one
CID 175902482
1-(4-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)piperidine-4-carboxylic acid
CID 82583105
(8S)-8-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-c]azepine
CID 86334619

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 82583621) is 4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline is CC1CNCc2cccc(-c3ccccn3)c21.
What is the InChIKey of 4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HDFLGIUAKBKDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-11-9-16-10-12-5-4-6-13(15(11)12)14-7-2-3-8-17-14/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline?
4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 224.31 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82583621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).