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

C7H5BrN4O — CID 126482429

IUPAC3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESNc1nccc(-c2nnco2)c1Br
InChIInChI=1S/C7H5BrN4O/c8-5-4(1-2-10-6(5)9)7-12-11-3-13-7/h1-3H,(H2,9,10)
InChIKeyPUERVLMKBNQIND-UHFFFAOYSA-N
MW241.05 g/mol
LogP1.48
Rot. Bonds1

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

3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine (PubChem CID 126482429) has the molecular formula C7H5BrN4O and a molecular weight of 241.05 g/mol. Its IUPAC name is 3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine
PubChem CID126482429
Molecular FormulaC7H5BrN4O
Molecular Weight241.05 g/mol
Exact Mass239.96
IUPAC Name3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESNc1nccc(-c2nnco2)c1Br
InChIInChI=1S/C7H5BrN4O/c8-5-4(1-2-10-6(5)9)7-12-11-3-13-7/h1-3H,(H2,9,10)
InChIKeyPUERVLMKBNQIND-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

Analyze 3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 142792757
2-(5,6,7,8-tetrahydroquinolin-4-yl)-1,3,4-oxadiazole
CID 142635435
2-(4-iodo-2-pyridinyl)-1,3,4-oxadiazole
CID 171373689
2-(3-fluoro-4-pyridinyl)-1,3,4-oxadiazole
CID 141446010
2-(3-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 107951352
ethane;2-(4-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 168929695
2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline
CID 107122454
4,5-dimethoxy-2-(1,3,4-oxadiazol-2-yl)aniline
CID 24695672
3-bromo-4-fluoropyridin-2-amine
CID 71627068
4-[7-methyl-6-(1,3,4-oxadiazol-2-yl)quinolin-4-yl]oxyaniline
CID 157160693
2-(4,6-dichloro-3-pyridinyl)-1,3,4-oxadiazole
CID 171373539
2-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazole
CID 86810427

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine (CID 126482429) is 3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine is Nc1nccc(-c2nnco2)c1Br.
What is the InChIKey of 3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The InChIKey is PUERVLMKBNQIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4O/c8-5-4(1-2-10-6(5)9)7-12-11-3-13-7/h1-3H,(H2,9,10).
What are the key properties of 3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine?
3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-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 3-bromo-4-(1,3,4-oxadiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 126482429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).