5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine

C7H5BrN4O — CID 107517342

IUPAC5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ncccc2Br)o1
InChIInChI=1S/C7H5BrN4O/c8-4-2-1-3-10-5(4)6-11-12-7(9)13-6/h1-3H,(H2,9,12)
InChIKeyNFRRZTRQYQJUST-UHFFFAOYSA-N
MW241.05 g/mol
LogP1.48
Rot. Bonds1

About 5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine

5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine (PubChem CID 107517342) has the molecular formula C7H5BrN4O and a molecular weight of 241.05 g/mol. Its IUPAC name is 5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine
PubChem CID107517342
Molecular FormulaC7H5BrN4O
Molecular Weight241.05 g/mol
Exact Mass239.96
IUPAC Name5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ncccc2Br)o1
InChIInChI=1S/C7H5BrN4O/c8-4-2-1-3-10-5(4)6-11-12-7(9)13-6/h1-3H,(H2,9,12)
InChIKeyNFRRZTRQYQJUST-UHFFFAOYSA-N
XLogP1.48
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107526136
5-quinolin-6-yl-1,3,4-oxadiazol-2-amine
CID 62850439
5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 4036354
3-bromo-2-[2-[2-(3-bromo-2-pyridinyl)phenyl]phenyl]pyridine
CID 102358252
5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107938667
1-[5-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 107525506
5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107971953
2-(3-bromo-2-pyridinyl)-1,3-benzoxazole-7-carboxylic acid
CID 107526450
[5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62339836
5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328
5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine
CID 62850606
2-N-(2-bromophenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436573

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine (CID 107517342) is 5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ncccc2Br)o1.
What is the InChIKey of 5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NFRRZTRQYQJUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4O/c8-4-2-1-3-10-5(4)6-11-12-7(9)13-6/h1-3H,(H2,9,12).
What are the key properties of 5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine?
5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 241.05 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107517342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).