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

C9H8BrFN4O — CID 104924719

IUPAC5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
SMILESFc1cc(Br)cnc1NCCc1ncno1
InChIInChI=1S/C9H8BrFN4O/c10-6-3-7(11)9(13-4-6)12-2-1-8-14-5-15-16-8/h3-5H,1-2H2,(H,12,13)
InChIKeyHIRQLQUSDQJCTE-UHFFFAOYSA-N
MW287.09 g/mol
LogP2.02
Rot. Bonds4

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

5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 104924719) has the molecular formula C9H8BrFN4O and a molecular weight of 287.09 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
PubChem CID104924719
Molecular FormulaC9H8BrFN4O
Molecular Weight287.09 g/mol
Exact Mass285.99
IUPAC Name5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
SMILESFc1cc(Br)cnc1NCCc1ncno1
InChIInChI=1S/C9H8BrFN4O/c10-6-3-7(11)9(13-4-6)12-2-1-8-14-5-15-16-8/h3-5H,1-2H2,(H,12,13)
InChIKeyHIRQLQUSDQJCTE-UHFFFAOYSA-N
XLogP2.02
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103757218
4-bromo-5-fluoro-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393728
4-bromo-5-fluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393762
5-bromo-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407956
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-fluoropyridin-2-amine
CID 106039969
N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104923678
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106411995
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
CID 104925005
5-bromo-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 104924731
5-bromo-3-fluoro-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 104924312
3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzene-1,2-diamine
CID 106393672

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine (CID 104924719) is 5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine is Fc1cc(Br)cnc1NCCc1ncno1.
What is the InChIKey of 5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is HIRQLQUSDQJCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN4O/c10-6-3-7(11)9(13-4-6)12-2-1-8-14-5-15-16-8/h3-5H,1-2H2,(H,12,13).
What are the key properties of 5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine?
5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 287.09 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 104924719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).