2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride

C17H19ClN2 — CID 45266048

IUPAC2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.c1ccc(-c2cncc(C3CC4CCC3N4)c2)cc1
InChIInChI=1S/C17H18N2.ClH/c1-2-4-12(5-3-1)13-8-14(11-18-10-13)16-9-15-6-7-17(16)19-15;/h1-5,8,10-11,15-17,19H,6-7,9H2;1H
InChIKeyVLGMCAYHSZJZQX-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.78
Rot. Bonds2

About 2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride

2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 45266048) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID45266048
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride
SMILESCl.c1ccc(-c2cncc(C3CC4CCC3N4)c2)cc1
InChIInChI=1S/C17H18N2.ClH/c1-2-4-12(5-3-1)13-8-14(11-18-10-13)16-9-15-6-7-17(16)19-15;/h1-5,8,10-11,15-17,19H,6-7,9H2;1H
InChIKeyVLGMCAYHSZJZQX-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 56839992
(1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 122384669
4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine
CID 56839988
ethane;2-(5-thiophen-2-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 160751361
(1R,2R,4S)-2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 11197491
(2S)-2-phenyl-7-azabicyclo[2.2.1]heptane
CID 10197910
(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11369535
(1R,2R,4S)-2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10901613
3-[5-[(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloro-3-pyridinyl]aniline;dihydrochloride
CID 45378953
2-[5-(3-chlorophenyl)-6-fluoro-3-pyridinyl]-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 45263788
2-[6-fluoro-5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 45266019
(1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane
CID 10487486

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of 2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride (CID 45266048) is 2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for 2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for 2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride is Cl.c1ccc(-c2cncc(C3CC4CCC3N4)c2)cc1.
What is the InChIKey of 2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is VLGMCAYHSZJZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.ClH/c1-2-4-12(5-3-1)13-8-14(11-18-10-13)16-9-15-6-7-17(16)19-15;/h1-5,8,10-11,15-17,19H,6-7,9H2;1H.
What are the key properties of 2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride?
2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 45266048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).