3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C8H7BrN4O — CID 135319537

IUPAC3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2cnc(N)c(Br)c2)n1
InChIInChI=1S/C8H7BrN4O/c1-4-12-8(14-13-4)5-2-6(9)7(10)11-3-5/h2-3H,1H3,(H2,10,11)
InChIKeyHUJIPTYYPSFGFO-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.78
Rot. Bonds1

About 3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 135319537) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID135319537
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2cnc(N)c(Br)c2)n1
InChIInChI=1S/C8H7BrN4O/c1-4-12-8(14-13-4)5-2-6(9)7(10)11-3-5/h2-3H,1H3,(H2,10,11)
InChIKeyHUJIPTYYPSFGFO-UHFFFAOYSA-N
XLogP1.78
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 135319537) is 3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1noc(-c2cnc(N)c(Br)c2)n1.
What is the InChIKey of 3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is HUJIPTYYPSFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c1-4-12-8(14-13-4)5-2-6(9)7(10)11-3-5/h2-3H,1H3,(H2,10,11).
What are the key properties of 3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 255.07 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 135319537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).