2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol

C13H9BrClNO2 — CID 162660236

IUPAC2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol
SMILESOc1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1
InChIInChI=1S/C13H9BrClNO2/c14-12-5-9(15)4-8(13(12)18)7-16-10-2-1-3-11(17)6-10/h1-7,17-18H/b16-7+
InChIKeyHXQOJZCCIDUKTK-FRKPEAEDSA-N
MW326.58 g/mol
LogP4.26
Rot. Bonds2

About 2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol

2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol (PubChem CID 162660236) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol
PubChem CID162660236
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol
SMILESOc1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1
InChIInChI=1S/C13H9BrClNO2/c14-12-5-9(15)4-8(13(12)18)7-16-10-2-1-3-11(17)6-10/h1-7,17-18H/b16-7+
InChIKeyHXQOJZCCIDUKTK-FRKPEAEDSA-N
XLogP4.26
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2-bromo-4-chloro-6-methanehydrazonoylphenol
CID 136503874
2-bromo-4-chloro-6-[[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 3933780
2-bromo-4-chloro-6-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 4993128
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
3-[(4-bromo-3-chlorophenyl)iminomethyl]phenol
CID 628372
2-chloro-N-[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]-4-hydroxybenzamide
CID 143730123
N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide
CID 3936044
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
CID 4092564
2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol?
The IUPAC name of 2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol (CID 162660236) is 2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol?
The canonical SMILES for 2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol is Oc1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1.
What is the InChIKey of 2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol?
The InChIKey is HXQOJZCCIDUKTK-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c14-12-5-9(15)4-8(13(12)18)7-16-10-2-1-3-11(17)6-10/h1-7,17-18H/b16-7+.
What are the key properties of 2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol?
2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol has a molecular weight of 326.58 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-[(3-hydroxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 162660236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).