2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile

C19H18ClN3O — CID 66882440

IUPAC2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(Cl)cc(OC2CC3CCC(C2)N3)n1
InChIInChI=1S/C19H18ClN3O/c20-13-7-18(17-4-2-1-3-12(17)11-21)23-19(8-13)24-16-9-14-5-6-15(10-16)22-14/h1-4,7-8,14-16,22H,5-6,9-10H2
InChIKeyDUZIGWMEPXXHSB-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.94
Rot. Bonds3

About 2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile

2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile (PubChem CID 66882440) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile
PubChem CID66882440
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(Cl)cc(OC2CC3CCC(C2)N3)n1
InChIInChI=1S/C19H18ClN3O/c20-13-7-18(17-4-2-1-3-12(17)11-21)23-19(8-13)24-16-9-14-5-6-15(10-16)22-14/h1-4,7-8,14-16,22H,5-6,9-10H2
InChIKeyDUZIGWMEPXXHSB-UHFFFAOYSA-N
XLogP3.94
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile?
The IUPAC name of 2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile (CID 66882440) is 2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile?
The canonical SMILES for 2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cc(Cl)cc(OC2CC3CCC(C2)N3)n1.
What is the InChIKey of 2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile?
The InChIKey is DUZIGWMEPXXHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-13-7-18(17-4-2-1-3-12(17)11-21)23-19(8-13)24-16-9-14-5-6-15(10-16)22-14/h1-4,7-8,14-16,22H,5-6,9-10H2.
What are the key properties of 2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile?
2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile has a molecular weight of 339.83 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(8-azabicyclo[3.2.1]octan-3-yloxy)-4-chloro-2-pyridinyl]benzonitrile is sourced from PubChem (CID 66882440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).