4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid

C14H10ClNO3 — CID 961431

IUPAC4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C14H10ClNO3/c15-11-3-6-13(17)10(7-11)8-16-12-4-1-9(2-5-12)14(18)19/h1-8,17H,(H,18,19)/b16-8+
InChIKeyBYQLBBHRPPYIFB-LZYBPNLTSA-N
MW275.69 g/mol
LogP3.49
Rot. Bonds3

About 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid

4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid (PubChem CID 961431) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
PubChem CID961431
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C14H10ClNO3/c15-11-3-6-13(17)10(7-11)8-16-12-4-1-9(2-5-12)14(18)19/h1-8,17H,(H,18,19)/b16-8+
InChIKeyBYQLBBHRPPYIFB-LZYBPNLTSA-N
XLogP3.49
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid 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

4-chloro-2-[(4-hydroxyphenyl)iminomethyl]phenol
CID 135757927
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 135657361
4-chloro-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 162659279
dimethyl 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595456
4-[[4-chloro-2-(phenyliminomethyl)phenoxy]methyl]benzoic acid
CID 126224839
4-chloro-2-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 135595561
4-chloro-2-[(4-fluoro-3-nitrophenyl)iminomethyl]phenol
CID 135595254
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate
CID 135841988
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
6-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1,3-dihydroindol-2-one
CID 149279914
4-chloro-2-[[4-[(5S,7R)-3-phenyl-1-adamantyl]phenyl]iminomethyl]phenol
CID 136897175

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid?
The IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid (CID 961431) is 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid?
The canonical SMILES for 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid is O=C(O)c1ccc(/N=C/c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid?
The InChIKey is BYQLBBHRPPYIFB-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-11-3-6-13(17)10(7-11)8-16-12-4-1-9(2-5-12)14(18)19/h1-8,17H,(H,18,19)/b16-8+.
What are the key properties of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid?
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid has a molecular weight of 275.69 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 961431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).