5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

C13H7BrF2N4O — CID 118110155

IUPAC5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1nnc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C13H7BrF2N4O/c14-6-3-9(11(17)18-5-6)13-20-19-12(21-13)8-4-7(15)1-2-10(8)16/h1-5H,(H2,17,18)
InChIKeyOLRBQPMYEPTFSP-UHFFFAOYSA-N
MW353.13 g/mol
LogP3.42
Rot. Bonds2

About 5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine

5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 118110155) has the molecular formula C13H7BrF2N4O and a molecular weight of 353.13 g/mol. Its IUPAC name is 5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID118110155
Molecular FormulaC13H7BrF2N4O
Molecular Weight353.13 g/mol
Exact Mass351.98
IUPAC Name5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESNc1ncc(Br)cc1-c1nnc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C13H7BrF2N4O/c14-6-3-9(11(17)18-5-6)13-20-19-12(21-13)8-4-7(15)1-2-10(8)16/h1-5H,(H2,17,18)
InChIKeyOLRBQPMYEPTFSP-UHFFFAOYSA-N
XLogP3.42
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.13
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Bromophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 823507
3-[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 740481
5-(5-(4-(5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 162722250
N-(pyridin-4-ylmethyl)-3-(5-(3-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 53318517
3-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(4-methylphenyl)pyridin-2-amine
CID 137636366
3-bromo-N-(5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 5103347
5-[5-(3-iodophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 76325788
5-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 76333017
5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 150590039
3-[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134136485
5-[5-(3-(125I)iodophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 76311297
5-[5-(4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 76322167

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 118110155) is 5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is Nc1ncc(Br)cc1-c1nnc(-c2cc(F)ccc2F)o1.
What is the InChIKey of 5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is OLRBQPMYEPTFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N4O/c14-6-3-9(11(17)18-5-6)13-20-19-12(21-13)8-4-7(15)1-2-10(8)16/h1-5H,(H2,17,18).
What are the key properties of 5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 353.13 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 118110155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).