2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate

C14H10NO4- — CID 135841988

IUPAC2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate
SMILESO=C(O)c1ccc(/N=C/c2ccc(O)cc2[O-])cc1
InChIInChI=1S/C14H11NO4/c16-12-6-3-10(13(17)7-12)8-15-11-4-1-9(2-5-11)14(18)19/h1-8,16-17H,(H,18,19)/p-1/b15-8+
InChIKeyBYHNHDIOEVRDLV-OVCLIPMQSA-M
MW256.24 g/mol
LogP1.91
Rot. Bonds3

About 2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate

2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate (PubChem CID 135841988) has the molecular formula C14H10NO4- and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate.

Molecular Properties

Compound Name2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate
PubChem CID135841988
Molecular FormulaC14H10NO4-
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate
SMILESO=C(O)c1ccc(/N=C/c2ccc(O)cc2[O-])cc1
InChIInChI=1S/C14H11NO4/c16-12-6-3-10(13(17)7-12)8-15-11-4-1-9(2-5-11)14(18)19/h1-8,16-17H,(H,18,19)/p-1/b15-8+
InChIKeyBYHNHDIOEVRDLV-OVCLIPMQSA-M
XLogP1.91
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
CID 2306645
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
CID 961431
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
5-hydroxy-2-[(E)-hydroxyiminomethyl]phenolate
CID 135455554
copper;5-hydroxy-2-[[2-[(4-hydroxy-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate;methanol
CID 139078092
methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate
CID 623233
4-(pyren-1-ylmethylideneamino)benzoic acid
CID 102429268
4-(ethylideneamino)benzoic acid
CID 58717150
4-hydroxy(11C)benzoic acid
CID 11275035
4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid
CID 4202846
4-[(4-methylphenyl)iminomethyl]benzoic acid
CID 3402295
4-(naphthalen-2-ylmethylideneamino)benzoic acid
CID 71359398

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate?
The IUPAC name of 2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate (CID 135841988) is 2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate.
What is the SMILES notation for 2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate?
The canonical SMILES for 2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate is O=C(O)c1ccc(/N=C/c2ccc(O)cc2[O-])cc1.
What is the InChIKey of 2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate?
The InChIKey is BYHNHDIOEVRDLV-OVCLIPMQSA-M. The full InChI is InChI=1S/C14H11NO4/c16-12-6-3-10(13(17)7-12)8-15-11-4-1-9(2-5-11)14(18)19/h1-8,16-17H,(H,18,19)/p-1/b15-8+.
What are the key properties of 2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate?
2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate has a molecular weight of 256.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carboxyphenyl)iminomethyl]-5-hydroxyphenolate is sourced from PubChem (CID 135841988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).