2-[(2-bromophenyl)iminomethyl]-4-chlorophenol

C13H9BrClNO — CID 786015

IUPAC2-[(2-bromophenyl)iminomethyl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1/C=N/c1ccccc1Br
InChIInChI=1S/C13H9BrClNO/c14-11-3-1-2-4-12(11)16-8-9-7-10(15)5-6-13(9)17/h1-8,17H/b16-8+
InChIKeyZYHPAHDJDNOOHD-LZYBPNLTSA-N
MW310.58 g/mol
LogP4.56
Rot. Bonds2

About 2-[(2-bromophenyl)iminomethyl]-4-chlorophenol

2-[(2-bromophenyl)iminomethyl]-4-chlorophenol (PubChem CID 786015) has the molecular formula C13H9BrClNO and a molecular weight of 310.58 g/mol. Its IUPAC name is 2-[(2-bromophenyl)iminomethyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[(2-bromophenyl)iminomethyl]-4-chlorophenol
PubChem CID786015
Molecular FormulaC13H9BrClNO
Molecular Weight310.58 g/mol
Exact Mass308.96
IUPAC Name2-[(2-bromophenyl)iminomethyl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1/C=N/c1ccccc1Br
InChIInChI=1S/C13H9BrClNO/c14-11-3-1-2-4-12(11)16-8-9-7-10(15)5-6-13(9)17/h1-8,17H/b16-8+
InChIKeyZYHPAHDJDNOOHD-LZYBPNLTSA-N
XLogP4.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-bromophenyl)iminomethyl]-4-chlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(((4-Bromophenyl)imino)methyl)phenol
CID 13448
4-Bromo-2-{[(4-chlorophenyl)imino]methyl}phenol
CID 305082
Alpha-(2-chlorophenylimino)-ortho-cresol
CID 137851
Salicylidene-4-chloroaniline
CID 305093
2-{(E)-[(4-bromophenyl)imino]methyl}-4-chlorophenol
CID 690138
Phenol, 2-bromo-6-[[(2-bromophenyl)imino]methyl]-4-chloro-
CID 1377772
Alpha-(5-chloro-2-hydroxyphenylimino)-O-cresol
CID 270035
4-bromo-2-chloro-6-{(E)-[(4-methylphenyl)imino]methyl}phenol
CID 691077
2-{[(4-Bromophenyl)imino]methyl}-4,6-dichlorophenol
CID 710302
4-bromo-2-[(E)-(phenylimino)methyl]phenol
CID 305088
5-Chlorosalicylidene aniline
CID 139957
Alpha-(3-bromophenylimino)-O-cresol
CID 4277662

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)iminomethyl]-4-chlorophenol?
The IUPAC name of 2-[(2-bromophenyl)iminomethyl]-4-chlorophenol (CID 786015) is 2-[(2-bromophenyl)iminomethyl]-4-chlorophenol.
What is the SMILES notation for 2-[(2-bromophenyl)iminomethyl]-4-chlorophenol?
The canonical SMILES for 2-[(2-bromophenyl)iminomethyl]-4-chlorophenol is Oc1ccc(Cl)cc1/C=N/c1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)iminomethyl]-4-chlorophenol?
The InChIKey is ZYHPAHDJDNOOHD-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H9BrClNO/c14-11-3-1-2-4-12(11)16-8-9-7-10(15)5-6-13(9)17/h1-8,17H/b16-8+.
What are the key properties of 2-[(2-bromophenyl)iminomethyl]-4-chlorophenol?
2-[(2-bromophenyl)iminomethyl]-4-chlorophenol has a molecular weight of 310.58 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)iminomethyl]-4-chlorophenol is sourced from PubChem (CID 786015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).