4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine

C9H9BrClN3O — CID 138746654

IUPAC4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine
SMILES[H]/N=C/c1nc(Cl)cc(Br)c1NC1COC1
InChIInChI=1S/C9H9BrClN3O/c10-6-1-8(11)14-7(2-12)9(6)13-5-3-15-4-5/h1-2,5,12-13H,3-4H2/b12-2+
InChIKeyOGEGENWYBZQFOY-SWGQDTFXSA-N
MW290.55 g/mol
LogP2.31
Rot. Bonds3

About 4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine

4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine (PubChem CID 138746654) has the molecular formula C9H9BrClN3O and a molecular weight of 290.55 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine
PubChem CID138746654
Molecular FormulaC9H9BrClN3O
Molecular Weight290.55 g/mol
Exact Mass288.96
IUPAC Name4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine
SMILES[H]/N=C/c1nc(Cl)cc(Br)c1NC1COC1
InChIInChI=1S/C9H9BrClN3O/c10-6-1-8(11)14-7(2-12)9(6)13-5-3-15-4-5/h1-2,5,12-13H,3-4H2/b12-2+
InChIKeyOGEGENWYBZQFOY-SWGQDTFXSA-N
XLogP2.31
TPSA58.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.55
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine?
The IUPAC name of 4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine (CID 138746654) is 4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine.
What is the SMILES notation for 4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine?
The canonical SMILES for 4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine is [H]/N=C/c1nc(Cl)cc(Br)c1NC1COC1.
What is the InChIKey of 4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine?
The InChIKey is OGEGENWYBZQFOY-SWGQDTFXSA-N. The full InChI is InChI=1S/C9H9BrClN3O/c10-6-1-8(11)14-7(2-12)9(6)13-5-3-15-4-5/h1-2,5,12-13H,3-4H2/b12-2+.
What are the key properties of 4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine?
4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine has a molecular weight of 290.55 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-2-methanimidoyl-N-(oxetan-3-yl)pyridin-3-amine is sourced from PubChem (CID 138746654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).