2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid

C15H11NO5 — CID 174908564

IUPAC2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1/N=C/c1ccccc1O
InChIInChI=1S/C15H11NO5/c17-12-7-2-1-4-9(12)8-16-13-10(14(18)19)5-3-6-11(13)15(20)21/h1-8,17H,(H,18,19)(H,20,21)/b16-8+
InChIKeyXCKHBTOSJTVPPZ-LZYBPNLTSA-N
MW285.25 g/mol
LogP2.54
Rot. Bonds4

About 2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid

2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid (PubChem CID 174908564) has the molecular formula C15H11NO5 and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid
PubChem CID174908564
Molecular FormulaC15H11NO5
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cccc(C(=O)O)c1/N=C/c1ccccc1O
InChIInChI=1S/C15H11NO5/c17-12-7-2-1-4-9(12)8-16-13-10(14(18)19)5-3-6-11(13)15(20)21/h1-8,17H,(H,18,19)(H,20,21)/b16-8+
InChIKeyXCKHBTOSJTVPPZ-LZYBPNLTSA-N
XLogP2.54
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid
CID 177416207
2-[(2,3-difluorophenyl)methylideneamino]benzoic acid
CID 23333881
2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
CID 69303300
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
benzene-1,2-diol;phthalic acid
CID 160861167
2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol
CID 135433888
3-hydroxy-2-[(2-hydroxyphenyl)diazenyl]benzoic acid
CID 136641813
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid (CID 174908564) is 2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid is O=C(O)c1cccc(C(=O)O)c1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid?
The InChIKey is XCKHBTOSJTVPPZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H11NO5/c17-12-7-2-1-4-9(12)8-16-13-10(14(18)19)5-3-6-11(13)15(20)21/h1-8,17H,(H,18,19)(H,20,21)/b16-8+.
What are the key properties of 2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid?
2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 174908564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).