(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol

C9H9BrN4O2 — CID 104915947

IUPAC(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@H](CO)c1nc(-c2ncccc2Br)no1
InChIInChI=1S/C9H9BrN4O2/c10-5-2-1-3-12-7(5)8-13-9(16-14-8)6(11)4-15/h1-3,6,15H,4,11H2/t6-/m1/s1
InChIKeyHDAPLMPMSRXUCC-ZCFIWIBFSA-N
MW285.10 g/mol
LogP0.89
Rot. Bonds3

About (2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol

(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 104915947) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID104915947
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@H](CO)c1nc(-c2ncccc2Br)no1
InChIInChI=1S/C9H9BrN4O2/c10-5-2-1-3-12-7(5)8-13-9(16-14-8)6(11)4-15/h1-3,6,15H,4,11H2/t6-/m1/s1
InChIKeyHDAPLMPMSRXUCC-ZCFIWIBFSA-N
XLogP0.89
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113398129
(1S)-2-amino-1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837266
(2R)-2-amino-2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915670
2-amino-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63949235
2-amino-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 43110252
[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 113398135
(R)-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-(2-chlorophenyl)methanamine
CID 107315622
2-amino-2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63097003
(2S)-2-amino-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915904
2-amino-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63554853
2-amino-2-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63841519
(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881133

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 104915947) is (2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol is N[C@H](CO)c1nc(-c2ncccc2Br)no1.
What is the InChIKey of (2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is HDAPLMPMSRXUCC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c10-5-2-1-3-12-7(5)8-13-9(16-14-8)6(11)4-15/h1-3,6,15H,4,11H2/t6-/m1/s1.
What are the key properties of (2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol?
(2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 285.10 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 104915947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).