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

C9H9BrN4O — CID 61373168

IUPAC3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
SMILESCc1noc(CNc2ncccc2Br)n1
InChIInChI=1S/C9H9BrN4O/c1-6-13-8(15-14-6)5-12-9-7(10)3-2-4-11-9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyAXRPFVRMXGFWMQ-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.15
Rot. Bonds3

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

3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine (PubChem CID 61373168) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
PubChem CID61373168
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
SMILESCc1noc(CNc2ncccc2Br)n1
InChIInChI=1S/C9H9BrN4O/c1-6-13-8(15-14-6)5-12-9-7(10)3-2-4-11-9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyAXRPFVRMXGFWMQ-UHFFFAOYSA-N
XLogP2.15
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine (CID 61373168) is 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine is Cc1noc(CNc2ncccc2Br)n1.
What is the InChIKey of 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is AXRPFVRMXGFWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-6-13-8(15-14-6)5-12-9-7(10)3-2-4-11-9/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 269.10 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 61373168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).