4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol

C10H8BrN3O2 — CID 3544927

IUPAC4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESCc1nonc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C10H8BrN3O2/c1-6-10(14-16-13-6)12-5-7-4-8(11)2-3-9(7)15/h2-5,15H,1H3/b12-5+
InChIKeyCMVCYGSOJUSVES-LFYBBSHMSA-N
MW282.10 g/mol
LogP2.60
Rot. Bonds2

About 4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol

4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (PubChem CID 3544927) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
PubChem CID3544927
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESCc1nonc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C10H8BrN3O2/c1-6-10(14-16-13-6)12-5-7-4-8(11)2-3-9(7)15/h2-5,15H,1H3/b12-5+
InChIKeyCMVCYGSOJUSVES-LFYBBSHMSA-N
XLogP2.60
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (CID 3544927) is 4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is Cc1nonc1/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The InChIKey is CMVCYGSOJUSVES-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-6-10(14-16-13-6)12-5-7-4-8(11)2-3-9(7)15/h2-5,15H,1H3/b12-5+.
What are the key properties of 4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol has a molecular weight of 282.10 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 3544927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).