7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

C19H19ClN2O — CID 71450030

IUPAC7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESClc1ccccc1Oc1cncc(C2=CC3CNCC(C2)C3)c1
InChIInChI=1S/C19H19ClN2O/c20-18-3-1-2-4-19(18)23-17-8-16(11-22-12-17)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2
InChIKeyDMDHFLXQSOBORU-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.54
Rot. Bonds3

About 7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71450030) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71450030
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESClc1ccccc1Oc1cncc(C2=CC3CNCC(C2)C3)c1
InChIInChI=1S/C19H19ClN2O/c20-18-3-1-2-4-19(18)23-17-8-16(11-22-12-17)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2
InChIKeyDMDHFLXQSOBORU-UHFFFAOYSA-N
XLogP4.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (CID 71450030) is 7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is Clc1ccccc1Oc1cncc(C2=CC3CNCC(C2)C3)c1.
What is the InChIKey of 7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is DMDHFLXQSOBORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-18-3-1-2-4-19(18)23-17-8-16(11-22-12-17)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2.
What are the key properties of 7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 326.83 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71450030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).