5-bromo-2-(quinolin-8-yliminomethyl)phenol

C16H11BrN2O — CID 137082979

IUPAC5-bromo-2-(quinolin-8-yliminomethyl)phenol
SMILESOc1cc(Br)ccc1/C=N/c1cccc2cccnc12
InChIInChI=1S/C16H11BrN2O/c17-13-7-6-12(15(20)9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14/h1-10,20H/b19-10+
InChIKeyOSMWGTWRCWDOPW-VXLYETTFSA-N
MW327.18 g/mol
LogP4.45
Rot. Bonds2

About 5-bromo-2-(quinolin-8-yliminomethyl)phenol

5-bromo-2-(quinolin-8-yliminomethyl)phenol (PubChem CID 137082979) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 5-bromo-2-(quinolin-8-yliminomethyl)phenol.

Molecular Properties

Compound Name5-bromo-2-(quinolin-8-yliminomethyl)phenol
PubChem CID137082979
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name5-bromo-2-(quinolin-8-yliminomethyl)phenol
SMILESOc1cc(Br)ccc1/C=N/c1cccc2cccnc12
InChIInChI=1S/C16H11BrN2O/c17-13-7-6-12(15(20)9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14/h1-10,20H/b19-10+
InChIKeyOSMWGTWRCWDOPW-VXLYETTFSA-N
XLogP4.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(quinolin-8-yliminomethyl)benzene-1,4-diol
CID 136851567
4-bromo-2-(quinolin-8-yliminomethyl)phenolate;4-chloro-2-(quinolin-8-yliminomethyl)phenolate;iron(3+);methanol;isothiocyanate
CID 139178147
2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde
CID 136675336
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol
CID 136784137
copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline
CID 139073230
4-nitro-2-(quinolin-8-yliminomethyl)phenolate
CID 2223529
2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol
CID 4191930
3-(quinolin-8-yldiazenyl)naphthalen-2-ol
CID 146350410
4-chloro-2-nitro-6-(quinolin-8-yliminomethyl)phenolate
CID 7034126
CID 54604144
CID 54604144
quinolin-8-ol;yttrium
CID 174635627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(quinolin-8-yliminomethyl)phenol?
The IUPAC name of 5-bromo-2-(quinolin-8-yliminomethyl)phenol (CID 137082979) is 5-bromo-2-(quinolin-8-yliminomethyl)phenol.
What is the SMILES notation for 5-bromo-2-(quinolin-8-yliminomethyl)phenol?
The canonical SMILES for 5-bromo-2-(quinolin-8-yliminomethyl)phenol is Oc1cc(Br)ccc1/C=N/c1cccc2cccnc12.
What is the InChIKey of 5-bromo-2-(quinolin-8-yliminomethyl)phenol?
The InChIKey is OSMWGTWRCWDOPW-VXLYETTFSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-13-7-6-12(15(20)9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14/h1-10,20H/b19-10+.
What are the key properties of 5-bromo-2-(quinolin-8-yliminomethyl)phenol?
5-bromo-2-(quinolin-8-yliminomethyl)phenol has a molecular weight of 327.18 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(quinolin-8-yliminomethyl)phenol is sourced from PubChem (CID 137082979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).