(1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine

C10H13BrN2 — CID 131028526

IUPAC(1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine
SMILESN[C@H](CC1CC1)c1ccc(Br)nc1
InChIInChI=1S/C10H13BrN2/c11-10-4-3-8(6-13-10)9(12)5-7-1-2-7/h3-4,6-7,9H,1-2,5,12H2/t9-/m1/s1
InChIKeyYTKWPCIIMTUGNQ-SECBINFHSA-N
MW241.13 g/mol
LogP2.64
Rot. Bonds3

About (1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine

(1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine (PubChem CID 131028526) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is (1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name(1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine
PubChem CID131028526
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name(1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine
SMILESN[C@H](CC1CC1)c1ccc(Br)nc1
InChIInChI=1S/C10H13BrN2/c11-10-4-3-8(6-13-10)9(12)5-7-1-2-7/h3-4,6-7,9H,1-2,5,12H2/t9-/m1/s1
InChIKeyYTKWPCIIMTUGNQ-SECBINFHSA-N
XLogP2.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.64
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

5-(1-amino-2-cyclopropylethyl)pyridin-2-amine
CID 55294489
(R)-(6-bromo-3-pyridinyl)-cyclopropylmethanamine
CID 131134352
(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198793
(1S)-1-(6-bromo-3-pyridinyl)-2-fluoroethanamine
CID 130701542
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
2-cyclopentyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854888
(1R)-1-(6-bromo-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203312
(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
CID 171203341
(S)-(6-bromo-3-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171240760
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171221041
(1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine
CID 131118486

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine?
The IUPAC name of (1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine (CID 131028526) is (1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine.
What is the SMILES notation for (1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine?
The canonical SMILES for (1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine is N[C@H](CC1CC1)c1ccc(Br)nc1.
What is the InChIKey of (1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine?
The InChIKey is YTKWPCIIMTUGNQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-10-4-3-8(6-13-10)9(12)5-7-1-2-7/h3-4,6-7,9H,1-2,5,12H2/t9-/m1/s1.
What are the key properties of (1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine?
(1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine has a molecular weight of 241.13 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine is sourced from PubChem (CID 131028526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).