(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

C11H13ClN2 — CID 11369535

IUPAC(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESClc1cncc([C@H]2C[C@@H]3CC[C@H]2N3)c1
InChIInChI=1S/C11H13ClN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2/t9-,10+,11+/m0/s1
InChIKeyCYWXRIUWSBKQSY-HBNTYKKESA-N
MW208.69 g/mol
LogP2.34
Rot. Bonds1

About (1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 11369535) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
PubChem CID11369535
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESClc1cncc([C@H]2C[C@@H]3CC[C@H]2N3)c1
InChIInChI=1S/C11H13ClN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2/t9-,10+,11+/m0/s1
InChIKeyCYWXRIUWSBKQSY-HBNTYKKESA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (CID 11369535) is (1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is Clc1cncc([C@H]2C[C@@H]3CC[C@H]2N3)c1.
What is the InChIKey of (1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is CYWXRIUWSBKQSY-HBNTYKKESA-N. The full InChI is InChI=1S/C11H13ClN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2/t9-,10+,11+/m0/s1.
What are the key properties of (1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 208.69 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 11369535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).