3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine

C18H19ClN2O — CID 67310634

IUPAC3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine
SMILESClc1cnccc1OC1c2ccccc2CC1N1CCCC1
InChIInChI=1S/C18H19ClN2O/c19-15-12-20-8-7-17(15)22-18-14-6-2-1-5-13(14)11-16(18)21-9-3-4-10-21/h1-2,5-8,12,16,18H,3-4,9-11H2
InChIKeyWXVCQVNLJAGMMQ-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.88
Rot. Bonds3

About 3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine

3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine (PubChem CID 67310634) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine.

Molecular Properties

Compound Name3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine
PubChem CID67310634
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine
SMILESClc1cnccc1OC1c2ccccc2CC1N1CCCC1
InChIInChI=1S/C18H19ClN2O/c19-15-12-20-8-7-17(15)22-18-14-6-2-1-5-13(14)11-16(18)21-9-3-4-10-21/h1-2,5-8,12,16,18H,3-4,9-11H2
InChIKeyWXVCQVNLJAGMMQ-UHFFFAOYSA-N
XLogP3.88
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine?
The IUPAC name of 3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine (CID 67310634) is 3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine.
What is the SMILES notation for 3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine?
The canonical SMILES for 3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine is Clc1cnccc1OC1c2ccccc2CC1N1CCCC1.
What is the InChIKey of 3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine?
The InChIKey is WXVCQVNLJAGMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-15-12-20-8-7-17(15)22-18-14-6-2-1-5-13(14)11-16(18)21-9-3-4-10-21/h1-2,5-8,12,16,18H,3-4,9-11H2.
What are the key properties of 3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine?
3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine has a molecular weight of 314.82 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl)oxy]pyridine is sourced from PubChem (CID 67310634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).