(1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine

C10H13BrN2 — CID 131118486

IUPAC(1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2/c11-8-3-4-10(13-6-8)9(12)5-7-1-2-7/h3-4,6-7,9H,1-2,5,12H2/t9-/m0/s1
InChIKeyOTYPXZVJINYTRI-VIFPVBQESA-N
MW241.13 g/mol
LogP2.64
Rot. Bonds3

About (1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine

(1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine (PubChem CID 131118486) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is (1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name(1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine
PubChem CID131118486
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name(1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine
SMILESN[C@@H](CC1CC1)c1ccc(Br)cn1
InChIInChI=1S/C10H13BrN2/c11-8-3-4-10(13-6-8)9(12)5-7-1-2-7/h3-4,6-7,9H,1-2,5,12H2/t9-/m0/s1
InChIKeyOTYPXZVJINYTRI-VIFPVBQESA-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

Analyze (1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine
CID 55291646
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
(R)-(5-bromo-2-pyridinyl)-cyclopropylmethanamine;hydrochloride
CID 171203241
[1-(5-bromo-2-pyridinyl)-2-cyclobutylethyl]hydrazine
CID 105267791
(1S)-1-(5-bromo-2-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171222795
(3R)-3-amino-3-(5-bromo-2-pyridinyl)propanenitrile
CID 130673269
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
(5-bromo-2-pyridinyl)-(3,5-dimethylcyclohexyl)methanamine
CID 113398353
1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 79723580
1-(5-bromo-2-pyridinyl)pentan-1-amine
CID 70087058
(1R)-1-(6-bromo-3-pyridinyl)-2-cyclopropylethanamine
CID 131028526
(S)-(5-bromo-2-pyridinyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171240730

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine?
The IUPAC name of (1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine (CID 131118486) is (1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine.
What is the SMILES notation for (1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine?
The canonical SMILES for (1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine is N[C@@H](CC1CC1)c1ccc(Br)cn1.
What is the InChIKey of (1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine?
The InChIKey is OTYPXZVJINYTRI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13BrN2/c11-8-3-4-10(13-6-8)9(12)5-7-1-2-7/h3-4,6-7,9H,1-2,5,12H2/t9-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine?
(1S)-1-(5-bromo-2-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 (1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine is sourced from PubChem (CID 131118486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).