(1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane

C11H13ClN2 — CID 10013301

IUPAC(1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
SMILESClc1ccc([C@@H]2C[C@H]3CN[C@@H]2C3)cn1
InChIInChI=1S/C11H13ClN2/c12-11-2-1-8(6-14-11)9-3-7-4-10(9)13-5-7/h1-2,6-7,9-10,13H,3-5H2/t7-,9+,10-/m1/s1
InChIKeyISACHQOCISQFPP-FKTZTGRPSA-N
MW208.69 g/mol
LogP2.20
Rot. Bonds1

About (1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane

(1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 10013301) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
PubChem CID10013301
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name(1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
SMILESClc1ccc([C@@H]2C[C@H]3CN[C@@H]2C3)cn1
InChIInChI=1S/C11H13ClN2/c12-11-2-1-8(6-14-11)9-3-7-4-10(9)13-5-7/h1-2,6-7,9-10,13H,3-5H2/t7-,9+,10-/m1/s1
InChIKeyISACHQOCISQFPP-FKTZTGRPSA-N
XLogP2.20
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 ≤ 52.20
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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Related Compounds

(1R,4R,6S)-6-(4-bromophenyl)-2-azabicyclo[2.2.1]heptane
CID 164585492
(1R,2R,4S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 854023
(1R,2S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10081807
(1S,2R,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11031065
(1S,4S,5S)-5-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 10058912
6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane
CID 57485598
[4-(6-chloro-3-pyridinyl)pyrrolidin-3-yl]methanethiol
CID 131101339
9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane
CID 57485609
2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
CID 162524227
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
(1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine
CID 11543114

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane (CID 10013301) is (1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane is Clc1ccc([C@@H]2C[C@H]3CN[C@@H]2C3)cn1.
What is the InChIKey of (1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is ISACHQOCISQFPP-FKTZTGRPSA-N. The full InChI is InChI=1S/C11H13ClN2/c12-11-2-1-8(6-14-11)9-3-7-4-10(9)13-5-7/h1-2,6-7,9-10,13H,3-5H2/t7-,9+,10-/m1/s1.
What are the key properties of (1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane?
(1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 208.69 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 10013301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).