(1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine

C12H15ClN2 — CID 11543114

IUPAC(1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine
SMILESNC1[C@@H]2CC[C@H]1[C@@H](c1ccc(Cl)nc1)C2
InChIInChI=1S/C12H15ClN2/c13-11-4-2-8(6-15-11)10-5-7-1-3-9(10)12(7)14/h2,4,6-7,9-10,12H,1,3,5,14H2/t7-,9+,10-,12?/m1/s1
InChIKeyINLFGRVNSNAIRT-LIHJQHMUSA-N
MW222.72 g/mol
LogP2.58
Rot. Bonds1

About (1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine

(1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine (PubChem CID 11543114) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine.

Molecular Properties

Compound Name(1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine
PubChem CID11543114
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name(1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine
SMILESNC1[C@@H]2CC[C@H]1[C@@H](c1ccc(Cl)nc1)C2
InChIInChI=1S/C12H15ClN2/c13-11-4-2-8(6-15-11)10-5-7-1-3-9(10)12(7)14/h2,4,6-7,9-10,12H,1,3,5,14H2/t7-,9+,10-,12?/m1/s1
InChIKeyINLFGRVNSNAIRT-LIHJQHMUSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.58
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

(1S,2R,3S,4R)-3-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-2-amine
CID 155556197
(1S,4S,5S)-5-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 10058912
6-(6-chloro-3-pyridinyl)cyclohex-2-en-1-ol
CID 10910792
6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane
CID 57485598
(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
2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine
CID 88937447
2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane
CID 11601009
(1R,2S,4S)-7-benzyl-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10756535
2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine
CID 178122839
(1R,5S)-6-(6-chloro-3-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 10728546

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine?
The IUPAC name of (1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine (CID 11543114) is (1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine.
What is the SMILES notation for (1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine?
The canonical SMILES for (1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine is NC1[C@@H]2CC[C@H]1[C@@H](c1ccc(Cl)nc1)C2.
What is the InChIKey of (1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine?
The InChIKey is INLFGRVNSNAIRT-LIHJQHMUSA-N. The full InChI is InChI=1S/C12H15ClN2/c13-11-4-2-8(6-15-11)10-5-7-1-3-9(10)12(7)14/h2,4,6-7,9-10,12H,1,3,5,14H2/t7-,9+,10-,12?/m1/s1.
What are the key properties of (1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine?
(1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine has a molecular weight of 222.72 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-(6-chloro-3-pyridinyl)bicyclo[2.2.1]heptan-7-amine is sourced from PubChem (CID 11543114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).