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

C11H14BrFN2O — CID 104923963

IUPAC5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESFc1cc(Br)cnc1NCC1CCCOC1
InChIInChI=1S/C11H14BrFN2O/c12-9-4-10(13)11(15-6-9)14-5-8-2-1-3-16-7-8/h4,6,8H,1-3,5,7H2,(H,14,15)
InChIKeyPDTHRTSBPMQAFF-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.82
Rot. Bonds3

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

5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine (PubChem CID 104923963) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine
PubChem CID104923963
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESFc1cc(Br)cnc1NCC1CCCOC1
InChIInChI=1S/C11H14BrFN2O/c12-9-4-10(13)11(15-6-9)14-5-8-2-1-3-16-7-8/h4,6,8H,1-3,5,7H2,(H,14,15)
InChIKeyPDTHRTSBPMQAFF-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine (CID 104923963) is 5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine is Fc1cc(Br)cnc1NCC1CCCOC1.
What is the InChIKey of 5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine?
The InChIKey is PDTHRTSBPMQAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c12-9-4-10(13)11(15-6-9)14-5-8-2-1-3-16-7-8/h4,6,8H,1-3,5,7H2,(H,14,15).
What are the key properties of 5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine?
5-bromo-3-fluoro-N-(oxan-3-ylmethyl)pyridin-2-amine has a molecular weight of 289.15 g/mol, XLogP of 2.82, 3 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-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 104923963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).