6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine

C16H19Br2FN4O — CID 158296495

IUPAC6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine
SMILESFC1(CNc2cccc(Br)n2)CCOCC1.Nc1cccc(Br)n1
InChIInChI=1S/C11H14BrFN2O.C5H5BrN2/c12-9-2-1-3-10(15-9)14-8-11(13)4-6-16-7-5-11;6-4-2-1-3-5(7)8-4/h1-3H,4-8H2,(H,14,15);1-3H,(H2,7,8)
InChIKeyGLYYKRKFJYTRPI-UHFFFAOYSA-N
MW462.16 g/mol
LogP4.20
Rot. Bonds3

About 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine

6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine (PubChem CID 158296495) has the molecular formula C16H19Br2FN4O and a molecular weight of 462.16 g/mol. Its IUPAC name is 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine
PubChem CID158296495
Molecular FormulaC16H19Br2FN4O
Molecular Weight462.16 g/mol
Exact Mass459.99
IUPAC Name6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine
SMILESFC1(CNc2cccc(Br)n2)CCOCC1.Nc1cccc(Br)n1
InChIInChI=1S/C11H14BrFN2O.C5H5BrN2/c12-9-2-1-3-10(15-9)14-8-11(13)4-6-16-7-5-11;6-4-2-1-3-5(7)8-4/h1-3H,4-8H2,(H,14,15);1-3H,(H2,7,8)
InChIKeyGLYYKRKFJYTRPI-UHFFFAOYSA-N
XLogP4.20
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.16
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine?
The IUPAC name of 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine (CID 158296495) is 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine is FC1(CNc2cccc(Br)n2)CCOCC1.Nc1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine?
The InChIKey is GLYYKRKFJYTRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O.C5H5BrN2/c12-9-2-1-3-10(15-9)14-8-11(13)4-6-16-7-5-11;6-4-2-1-3-5(7)8-4/h1-3H,4-8H2,(H,14,15);1-3H,(H2,7,8).
What are the key properties of 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine?
6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine has a molecular weight of 462.16 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine;6-bromopyridin-2-amine is sourced from PubChem (CID 158296495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).