(1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane

C13H17ClN2 — CID 10728546

IUPAC(1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC[C@H]1C(c1ccc(Cl)nc1)C2
InChIInChI=1S/C13H17ClN2/c1-16-10-3-2-4-12(16)11(7-10)9-5-6-13(14)15-8-9/h5-6,8,10-12H,2-4,7H2,1H3/t10-,11?,12+/m1/s1
InChIKeyZLUUEWORLURLJD-LWALXPGCSA-N
MW236.75 g/mol
LogP3.08
Rot. Bonds1

About (1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane

(1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 10728546) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is (1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID10728546
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name(1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CCC[C@H]1C(c1ccc(Cl)nc1)C2
InChIInChI=1S/C13H17ClN2/c1-16-10-3-2-4-12(16)11(7-10)9-5-6-13(14)15-8-9/h5-6,8,10-12H,2-4,7H2,1H3/t10-,11?,12+/m1/s1
InChIKeyZLUUEWORLURLJD-LWALXPGCSA-N
XLogP3.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane
CID 11601009
(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10774486
1-[2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptan-7-yl]ethanone
CID 15161196
2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine
CID 88937447
methyl (1S,2S,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 102123810
(1R,2S,4S)-7-benzyl-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10756535
tert-butyl (1S,2S,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10859827
2-chloro-5-(1-propan-2-ylpyrrolidin-2-yl)pyridine
CID 102539185
7-(6-chloro-3-pyridinyl)-2-propyl-2-azabicyclo[2.2.2]oct-5-ene
CID 162524290
(1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane
CID 101073081
2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine
CID 94035152
[(1R,2R)-2-(6-chloro-3-pyridinyl)cyclopentyl]-cyano-[methyl(oxido)-λ4-sulfanylidene]azanium
CID 87384519

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane (CID 10728546) is (1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CCC[C@H]1C(c1ccc(Cl)nc1)C2.
What is the InChIKey of (1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is ZLUUEWORLURLJD-LWALXPGCSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-16-10-3-2-4-12(16)11(7-10)9-5-6-13(14)15-8-9/h5-6,8,10-12H,2-4,7H2,1H3/t10-,11?,12+/m1/s1.
What are the key properties of (1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane?
(1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 236.75 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 10728546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).