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

C11H14BrFN2O — CID 58284649

IUPAC6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine
SMILESFC1(CNc2cccc(Br)n2)CCOCC1
InChIInChI=1S/C11H14BrFN2O/c12-9-2-1-3-10(15-9)14-8-11(13)4-6-16-7-5-11/h1-3H,4-8H2,(H,14,15)
InChIKeyPPBLSKNTIXWDOJ-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.77
Rot. Bonds3

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

6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine (PubChem CID 58284649) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine
PubChem CID58284649
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine
SMILESFC1(CNc2cccc(Br)n2)CCOCC1
InChIInChI=1S/C11H14BrFN2O/c12-9-2-1-3-10(15-9)14-8-11(13)4-6-16-7-5-11/h1-3H,4-8H2,(H,14,15)
InChIKeyPPBLSKNTIXWDOJ-UHFFFAOYSA-N
XLogP2.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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?
The IUPAC name of 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine (CID 58284649) is 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine is FC1(CNc2cccc(Br)n2)CCOCC1.
What is the InChIKey of 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine?
The InChIKey is PPBLSKNTIXWDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c12-9-2-1-3-10(15-9)14-8-11(13)4-6-16-7-5-11/h1-3H,4-8H2,(H,14,15).
What are the key properties of 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine?
6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine has a molecular weight of 289.15 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-fluorooxan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 58284649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).