7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane

C12H16N2 — CID 11106117

IUPAC7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
SMILESc1ccc(CN2C3CCC2CC3)nc1
InChIInChI=1S/C12H16N2/c1-2-8-13-10(3-1)9-14-11-4-5-12(14)7-6-11/h1-3,8,11-12H,4-7,9H2
InChIKeyPWCQAYFBMQDYNV-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.21
Rot. Bonds2

About 7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane

7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 11106117) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
PubChem CID11106117
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
SMILESc1ccc(CN2C3CCC2CC3)nc1
InChIInChI=1S/C12H16N2/c1-2-8-13-10(3-1)9-14-11-4-5-12(14)7-6-11/h1-3,8,11-12H,4-7,9H2
InChIKeyPWCQAYFBMQDYNV-UHFFFAOYSA-N
XLogP2.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane (CID 11106117) is 7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane is c1ccc(CN2C3CCC2CC3)nc1.
What is the InChIKey of 7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is PWCQAYFBMQDYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-8-13-10(3-1)9-14-11-4-5-12(14)7-6-11/h1-3,8,11-12H,4-7,9H2.
What are the key properties of 7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane?
7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 188.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 11106117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).