5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine

C18H19BrN2O — CID 11494212

IUPAC5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine
SMILESBrc1ccc(Oc2ccc3c(c2)CC(N2CCCC2)C3)nc1
InChIInChI=1S/C18H19BrN2O/c19-15-4-6-18(20-12-15)22-17-5-3-13-9-16(10-14(13)11-17)21-7-1-2-8-21/h3-6,11-12,16H,1-2,7-10H2
InChIKeyQMCHUDCCLLFBIW-UHFFFAOYSA-N
MW359.27 g/mol
LogP4.20
Rot. Bonds3

About 5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine

5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine (PubChem CID 11494212) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine
PubChem CID11494212
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine
SMILESBrc1ccc(Oc2ccc3c(c2)CC(N2CCCC2)C3)nc1
InChIInChI=1S/C18H19BrN2O/c19-15-4-6-18(20-12-15)22-17-5-3-13-9-16(10-14(13)11-17)21-7-1-2-8-21/h3-6,11-12,16H,1-2,7-10H2
InChIKeyQMCHUDCCLLFBIW-UHFFFAOYSA-N
XLogP4.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine?
The IUPAC name of 5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine (CID 11494212) is 5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine.
What is the SMILES notation for 5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine?
The canonical SMILES for 5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine is Brc1ccc(Oc2ccc3c(c2)CC(N2CCCC2)C3)nc1.
What is the InChIKey of 5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine?
The InChIKey is QMCHUDCCLLFBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c19-15-4-6-18(20-12-15)22-17-5-3-13-9-16(10-14(13)11-17)21-7-1-2-8-21/h3-6,11-12,16H,1-2,7-10H2.
What are the key properties of 5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine?
5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine has a molecular weight of 359.27 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]pyridine is sourced from PubChem (CID 11494212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).