2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride

C11H13ClN2 — CID 57400940

IUPAC2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride
SMILESC1=C(c2ccccn2)C2CCC1N2.Cl
InChIInChI=1S/C11H12N2.ClH/c1-2-6-12-10(3-1)9-7-8-4-5-11(9)13-8;/h1-3,6-8,11,13H,4-5H2;1H
InChIKeySCHAHVISRGTANN-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.02
Rot. Bonds1

About 2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride

2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride (PubChem CID 57400940) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride.

Molecular Properties

Compound Name2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride
PubChem CID57400940
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride
SMILESC1=C(c2ccccn2)C2CCC1N2.Cl
InChIInChI=1S/C11H12N2.ClH/c1-2-6-12-10(3-1)9-7-8-4-5-11(9)13-8;/h1-3,6-8,11,13H,4-5H2;1H
InChIKeySCHAHVISRGTANN-UHFFFAOYSA-N
XLogP2.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride?
The IUPAC name of 2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride (CID 57400940) is 2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride.
What is the SMILES notation for 2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride?
The canonical SMILES for 2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride is C1=C(c2ccccn2)C2CCC1N2.Cl.
What is the InChIKey of 2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride?
The InChIKey is SCHAHVISRGTANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.ClH/c1-2-6-12-10(3-1)9-7-8-4-5-11(9)13-8;/h1-3,6-8,11,13H,4-5H2;1H.
What are the key properties of 2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride?
2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride is sourced from PubChem (CID 57400940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).