5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine

C9H7BrFN3O — CID 104924616

IUPAC5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
SMILESFc1cc(Br)cnc1NCc1ccon1
InChIInChI=1S/C9H7BrFN3O/c10-6-3-8(11)9(12-4-6)13-5-7-1-2-15-14-7/h1-4H,5H2,(H,12,13)
InChIKeyYFGSNRVYYFZHEC-UHFFFAOYSA-N
MW272.08 g/mol
LogP2.58
Rot. Bonds3

About 5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine

5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine (PubChem CID 104924616) has the molecular formula C9H7BrFN3O and a molecular weight of 272.08 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
PubChem CID104924616
Molecular FormulaC9H7BrFN3O
Molecular Weight272.08 g/mol
Exact Mass270.98
IUPAC Name5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
SMILESFc1cc(Br)cnc1NCc1ccon1
InChIInChI=1S/C9H7BrFN3O/c10-6-3-8(11)9(12-4-6)13-5-7-1-2-15-14-7/h1-4H,5H2,(H,12,13)
InChIKeyYFGSNRVYYFZHEC-UHFFFAOYSA-N
XLogP2.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine (CID 104924616) is 5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine is Fc1cc(Br)cnc1NCc1ccon1.
What is the InChIKey of 5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine?
The InChIKey is YFGSNRVYYFZHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3O/c10-6-3-8(11)9(12-4-6)13-5-7-1-2-15-14-7/h1-4H,5H2,(H,12,13).
What are the key properties of 5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine?
5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine has a molecular weight of 272.08 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 104924616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).