5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride

C14H15ClN2 — CID 169122125

IUPAC5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.c1cncc(-c2cccc3c2CCCN3)c1
InChIInChI=1S/C14H14N2.ClH/c1-5-12(11-4-2-8-15-10-11)13-6-3-9-16-14(13)7-1;/h1-2,4-5,7-8,10,16H,3,6,9H2;1H
InChIKeyYARYRMRTCCCJCS-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.53
Rot. Bonds1

About 5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride

5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 169122125) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID169122125
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.c1cncc(-c2cccc3c2CCCN3)c1
InChIInChI=1S/C14H14N2.ClH/c1-5-12(11-4-2-8-15-10-11)13-6-3-9-16-14(13)7-1;/h1-2,4-5,7-8,10,16H,3,6,9H2;1H
InChIKeyYARYRMRTCCCJCS-UHFFFAOYSA-N
XLogP3.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
4-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-indole
CID 116698343
2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335790
2-(1,2,3,4-tetrahydroquinolin-5-yl)-1,3-thiazole
CID 135387685
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
4-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 116698328
5-(4-phenylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81230355
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 61336403
3-(2-methylphenyl)pyridine
CID 4133191
3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
CID 142525776
cyclopenta[c]azepine
CID 638010
5-(4-fluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 60837691

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 169122125) is 5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride is Cl.c1cncc(-c2cccc3c2CCCN3)c1.
What is the InChIKey of 5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is YARYRMRTCCCJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.ClH/c1-5-12(11-4-2-8-15-10-11)13-6-3-9-16-14(13)7-1;/h1-2,4-5,7-8,10,16H,3,6,9H2;1H.
What are the key properties of 5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride?
5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 3.53, 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-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 169122125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).