6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine

C10H13BrN2 — CID 103529167

IUPAC6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine
SMILESCC(Nc1ccc(Br)nc1)C1CC1
InChIInChI=1S/C10H13BrN2/c1-7(8-2-3-8)13-9-4-5-10(11)12-6-9/h4-8,13H,2-3H2,1H3
InChIKeyAXSDOMNDEUKDHQ-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.05
Rot. Bonds3

About 6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine

6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine (PubChem CID 103529167) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine
PubChem CID103529167
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine
SMILESCC(Nc1ccc(Br)nc1)C1CC1
InChIInChI=1S/C10H13BrN2/c1-7(8-2-3-8)13-9-4-5-10(11)12-6-9/h4-8,13H,2-3H2,1H3
InChIKeyAXSDOMNDEUKDHQ-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine?
The IUPAC name of 6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine (CID 103529167) is 6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine?
The canonical SMILES for 6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine is CC(Nc1ccc(Br)nc1)C1CC1.
What is the InChIKey of 6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine?
The InChIKey is AXSDOMNDEUKDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-7(8-2-3-8)13-9-4-5-10(11)12-6-9/h4-8,13H,2-3H2,1H3.
What are the key properties of 6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine?
6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine has a molecular weight of 241.13 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-cyclopropylethyl)pyridin-3-amine is sourced from PubChem (CID 103529167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).