2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid

C9H7BrClNO3 — CID 136811178

IUPAC2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
SMILESO=C(O)C/N=C/c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C9H7BrClNO3/c10-7-2-6(11)1-5(9(7)15)3-12-4-8(13)14/h1-3,15H,4H2,(H,13,14)/b12-3+
InChIKeyLBYKMPMFUQXWGP-KGVSQERTSA-N
MW292.52 g/mol
LogP2.31
Rot. Bonds3

About 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid

2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid (PubChem CID 136811178) has the molecular formula C9H7BrClNO3 and a molecular weight of 292.52 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
PubChem CID136811178
Molecular FormulaC9H7BrClNO3
Molecular Weight292.52 g/mol
Exact Mass290.93
IUPAC Name2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
SMILESO=C(O)C/N=C/c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C9H7BrClNO3/c10-7-2-6(11)1-5(9(7)15)3-12-4-8(13)14/h1-3,15H,4H2,(H,13,14)/b12-3+
InChIKeyLBYKMPMFUQXWGP-KGVSQERTSA-N
XLogP2.31
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 52.31
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-bromo-4-chloro-6-methanehydrazonoylphenol
CID 136503874
2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136866026
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 136826715
2-bromo-4-chloro-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139201615
2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol
CID 135912099
2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid
CID 5247870
[4-[3,5-bis(carboxymethyliminomethyl)-4-hydroxyphenyl]-2,6-bis(carboxymethyliminomethyl)phenyl]oxidanium
CID 142278413
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991
2-bromo-6-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(2R)-2-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]ethyl]imidazolidin-1-yl]ethyl]imidazolidin-1-yl]ethyliminomethyl]-4-chlorophenol
CID 136753141
3-(3-bromo-5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoic acid
CID 22683222
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]methanesulfonamide
CID 727419
2,6-dibromo-4-chlorophenol
CID 21394

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid?
The IUPAC name of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid (CID 136811178) is 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid is O=C(O)C/N=C/c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid?
The InChIKey is LBYKMPMFUQXWGP-KGVSQERTSA-N. The full InChI is InChI=1S/C9H7BrClNO3/c10-7-2-6(11)1-5(9(7)15)3-12-4-8(13)14/h1-3,15H,4H2,(H,13,14)/b12-3+.
What are the key properties of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid?
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid has a molecular weight of 292.52 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid is sourced from PubChem (CID 136811178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).