6-bromo-N-(oxepan-4-yl)pyridin-3-amine

C11H15BrN2O — CID 104718841

IUPAC6-bromo-N-(oxepan-4-yl)pyridin-3-amine
SMILESBrc1ccc(NC2CCCOCC2)cn1
InChIInChI=1S/C11H15BrN2O/c12-11-4-3-10(8-13-11)14-9-2-1-6-15-7-5-9/h3-4,8-9,14H,1-2,5-7H2
InChIKeyPDTIJCYRKWZSJF-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.83
Rot. Bonds2

About 6-bromo-N-(oxepan-4-yl)pyridin-3-amine

6-bromo-N-(oxepan-4-yl)pyridin-3-amine (PubChem CID 104718841) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 6-bromo-N-(oxepan-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-(oxepan-4-yl)pyridin-3-amine
PubChem CID104718841
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name6-bromo-N-(oxepan-4-yl)pyridin-3-amine
SMILESBrc1ccc(NC2CCCOCC2)cn1
InChIInChI=1S/C11H15BrN2O/c12-11-4-3-10(8-13-11)14-9-2-1-6-15-7-5-9/h3-4,8-9,14H,1-2,5-7H2
InChIKeyPDTIJCYRKWZSJF-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(oxepan-4-yl)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

Related Compounds

6-bromo-N-(4,4-dimethylcycloheptyl)pyridin-3-amine
CID 114051596
4-N,4-N-dimethyl-1-N-(oxepan-4-yl)benzene-1,4-diamine
CID 65081872
6-(2-methylimidazol-1-yl)-N-(oxepan-4-yl)pyridin-3-amine
CID 65081498
N-[4-bromo-3-(trifluoromethyl)phenyl]oxepan-4-amine
CID 65081576
N-(3,5-dimethylphenyl)oxepan-4-amine
CID 65076882
N-(4-bromo-3,5-dimethylphenyl)oxepan-4-amine
CID 103582092
N-(3-bromo-4-nitrophenyl)oxepan-4-amine
CID 82865027
N-(oxonan-4-yl)pyridin-4-amine
CID 57144973
N-(2,5-difluorophenyl)oxepan-4-amine
CID 65076714
N-cyclopentyl-6-morpholin-4-ylpyridin-3-amine
CID 43724730
N-(4-ethoxyphenyl)oxepan-4-amine
CID 65076928
N-(2,4,6-tribromophenyl)oxepan-4-amine
CID 65076459

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(oxepan-4-yl)pyridin-3-amine?
The IUPAC name of 6-bromo-N-(oxepan-4-yl)pyridin-3-amine (CID 104718841) is 6-bromo-N-(oxepan-4-yl)pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-(oxepan-4-yl)pyridin-3-amine?
The canonical SMILES for 6-bromo-N-(oxepan-4-yl)pyridin-3-amine is Brc1ccc(NC2CCCOCC2)cn1.
What is the InChIKey of 6-bromo-N-(oxepan-4-yl)pyridin-3-amine?
The InChIKey is PDTIJCYRKWZSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-11-4-3-10(8-13-11)14-9-2-1-6-15-7-5-9/h3-4,8-9,14H,1-2,5-7H2.
What are the key properties of 6-bromo-N-(oxepan-4-yl)pyridin-3-amine?
6-bromo-N-(oxepan-4-yl)pyridin-3-amine has a molecular weight of 271.16 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(oxepan-4-yl)pyridin-3-amine is sourced from PubChem (CID 104718841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).