5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine

C10H12BrFN2O — CID 104923947

IUPAC5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine
SMILESFc1cc(Br)cnc1NC1CCOCC1
InChIInChI=1S/C10H12BrFN2O/c11-7-5-9(12)10(13-6-7)14-8-1-3-15-4-2-8/h5-6,8H,1-4H2,(H,13,14)
InChIKeyVIFBAYSGEAMMSN-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.57
Rot. Bonds2

About 5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine

5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 104923947) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine
PubChem CID104923947
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine
SMILESFc1cc(Br)cnc1NC1CCOCC1
InChIInChI=1S/C10H12BrFN2O/c11-7-5-9(12)10(13-6-7)14-8-1-3-15-4-2-8/h5-6,8H,1-4H2,(H,13,14)
InChIKeyVIFBAYSGEAMMSN-UHFFFAOYSA-N
XLogP2.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine (CID 104923947) is 5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine is Fc1cc(Br)cnc1NC1CCOCC1.
What is the InChIKey of 5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is VIFBAYSGEAMMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c11-7-5-9(12)10(13-6-7)14-8-1-3-15-4-2-8/h5-6,8H,1-4H2,(H,13,14).
What are the key properties of 5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine?
5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 275.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 104923947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).