2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride

C11H12Cl2N2 — CID 57392207

IUPAC2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride
SMILESCl.Clc1ccc(C2=CC3CCC2N3)cn1
InChIInChI=1S/C11H11ClN2.ClH/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8;/h1,4-6,8,10,14H,2-3H2;1H
InChIKeySETVVPWWTLYICC-UHFFFAOYSA-N
MW243.14 g/mol
LogP2.67
Rot. Bonds1

About 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride

2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride (PubChem CID 57392207) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride
PubChem CID57392207
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride
SMILESCl.Clc1ccc(C2=CC3CCC2N3)cn1
InChIInChI=1S/C11H11ClN2.ClH/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8;/h1,4-6,8,10,14H,2-3H2;1H
InChIKeySETVVPWWTLYICC-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride (CID 57392207) is 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride is Cl.Clc1ccc(C2=CC3CCC2N3)cn1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride?
The InChIKey is SETVVPWWTLYICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2.ClH/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8;/h1,4-6,8,10,14H,2-3H2;1H.
What are the key properties of 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride?
2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride has a molecular weight of 243.14 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene;hydrochloride is sourced from PubChem (CID 57392207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).