4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C10H9BrN6O — CID 136599066

IUPAC4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2cc(CCBr)ncc2[nH]1
InChIInChI=1S/C10H9BrN6O/c11-2-1-5-3-6-7(4-13-5)15-10(14-6)8-9(12)17-18-16-8/h3-4H,1-2H2,(H2,12,17)(H,14,15)
InChIKeyLARWOPHXZYQWIL-UHFFFAOYSA-N
MW309.13 g/mol
LogP1.53
Rot. Bonds3

About 4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 136599066) has the molecular formula C10H9BrN6O and a molecular weight of 309.13 g/mol. Its IUPAC name is 4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID136599066
Molecular FormulaC10H9BrN6O
Molecular Weight309.13 g/mol
Exact Mass308.00
IUPAC Name4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2cc(CCBr)ncc2[nH]1
InChIInChI=1S/C10H9BrN6O/c11-2-1-5-3-6-7(4-13-5)15-10(14-6)8-9(12)17-18-16-8/h3-4H,1-2H2,(H2,12,17)(H,14,15)
InChIKeyLARWOPHXZYQWIL-UHFFFAOYSA-N
XLogP1.53
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 136599066) is 4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2cc(CCBr)ncc2[nH]1.
What is the InChIKey of 4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is LARWOPHXZYQWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN6O/c11-2-1-5-3-6-7(4-13-5)15-10(14-6)8-9(12)17-18-16-8/h3-4H,1-2H2,(H2,12,17)(H,14,15).
What are the key properties of 4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 309.13 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-bromoethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 136599066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).