(R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine

C11H15BrN2 — CID 130657982

IUPAC(R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine
SMILESN[C@@H](c1ccnc(Br)c1)C1CCCC1
InChIInChI=1S/C11H15BrN2/c12-10-7-9(5-6-14-10)11(13)8-3-1-2-4-8/h5-8,11H,1-4,13H2/t11-/m1/s1
InChIKeyWQBQEVAWFHHFIN-LLVKDONJSA-N
MW255.16 g/mol
LogP3.03
Rot. Bonds2

About (R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine

(R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine (PubChem CID 130657982) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is (R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine.

Molecular Properties

Compound Name(R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine
PubChem CID130657982
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name(R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine
SMILESN[C@@H](c1ccnc(Br)c1)C1CCCC1
InChIInChI=1S/C11H15BrN2/c12-10-7-9(5-6-14-10)11(13)8-3-1-2-4-8/h5-8,11H,1-4,13H2/t11-/m1/s1
InChIKeyWQBQEVAWFHHFIN-LLVKDONJSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.03
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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Frequently Asked Questions

What is the IUPAC name of (R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine?
The IUPAC name of (R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine (CID 130657982) is (R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine.
What is the SMILES notation for (R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine?
The canonical SMILES for (R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine is N[C@@H](c1ccnc(Br)c1)C1CCCC1.
What is the InChIKey of (R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine?
The InChIKey is WQBQEVAWFHHFIN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-7-9(5-6-14-10)11(13)8-3-1-2-4-8/h5-8,11H,1-4,13H2/t11-/m1/s1.
What are the key properties of (R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine?
(R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine has a molecular weight of 255.16 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-bromo-4-pyridinyl)-cyclopentylmethanamine is sourced from PubChem (CID 130657982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).