4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride

C21H18ClNO — CID 25033655

IUPAC4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride
SMILESCOc1ccc(-c2ccc3c(c2)CC=C3c2ccncc2)cc1.Cl
InChIInChI=1S/C21H17NO.ClH/c1-23-19-6-2-15(3-7-19)17-4-8-21-18(14-17)5-9-20(21)16-10-12-22-13-11-16;/h2-4,6-14H,5H2,1H3;1H
InChIKeyJAHLIPBSDIJMHB-UHFFFAOYSA-N
MW335.83 g/mol
LogP5.17
Rot. Bonds3

About 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride

4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride (PubChem CID 25033655) has the molecular formula C21H18ClNO and a molecular weight of 335.83 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride
PubChem CID25033655
Molecular FormulaC21H18ClNO
Molecular Weight335.83 g/mol
Exact Mass335.11
IUPAC Name4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride
SMILESCOc1ccc(-c2ccc3c(c2)CC=C3c2ccncc2)cc1.Cl
InChIInChI=1S/C21H17NO.ClH/c1-23-19-6-2-15(3-7-19)17-4-8-21-18(14-17)5-9-20(21)16-10-12-22-13-11-16;/h2-4,6-14H,5H2,1H3;1H
InChIKeyJAHLIPBSDIJMHB-UHFFFAOYSA-N
XLogP5.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.83
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride?
The IUPAC name of 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride (CID 25033655) is 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride is COc1ccc(-c2ccc3c(c2)CC=C3c2ccncc2)cc1.Cl.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride?
The InChIKey is JAHLIPBSDIJMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO.ClH/c1-23-19-6-2-15(3-7-19)17-4-8-21-18(14-17)5-9-20(21)16-10-12-22-13-11-16;/h2-4,6-14H,5H2,1H3;1H.
What are the key properties of 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride?
4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-3H-inden-1-yl]pyridine;hydrochloride is sourced from PubChem (CID 25033655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).