3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride

C16H16ClNO — CID 68961384

IUPAC3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride
SMILESCOc1cccc2c1C(=Cc1cccnc1)CC2.Cl
InChIInChI=1S/C16H15NO.ClH/c1-18-15-6-2-5-13-7-8-14(16(13)15)10-12-4-3-9-17-11-12;/h2-6,9-11H,7-8H2,1H3;1H
InChIKeyCZAKNXNOHYLJBW-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.00
Rot. Bonds2

About 3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride

3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride (PubChem CID 68961384) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride
PubChem CID68961384
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride
SMILESCOc1cccc2c1C(=Cc1cccnc1)CC2.Cl
InChIInChI=1S/C16H15NO.ClH/c1-18-15-6-2-5-13-7-8-14(16(13)15)10-12-4-3-9-17-11-12;/h2-6,9-11H,7-8H2,1H3;1H
InChIKeyCZAKNXNOHYLJBW-UHFFFAOYSA-N
XLogP4.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride?
The IUPAC name of 3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride (CID 68961384) is 3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride.
What is the SMILES notation for 3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride?
The canonical SMILES for 3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride is COc1cccc2c1C(=Cc1cccnc1)CC2.Cl.
What is the InChIKey of 3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride?
The InChIKey is CZAKNXNOHYLJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO.ClH/c1-18-15-6-2-5-13-7-8-14(16(13)15)10-12-4-3-9-17-11-12;/h2-6,9-11H,7-8H2,1H3;1H.
What are the key properties of 3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride?
3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methoxy-2,3-dihydroinden-1-ylidene)methyl]pyridine;hydrochloride is sourced from PubChem (CID 68961384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).