5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid

C14H10ClNO3 — CID 17384577

IUPAC5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(/N=C/c2ccccc2Cl)ccc1O
InChIInChI=1S/C14H10ClNO3/c15-12-4-2-1-3-9(12)8-16-10-5-6-13(17)11(7-10)14(18)19/h1-8,17H,(H,18,19)/b16-8+
InChIKeyXCKPCAXWYBQLOP-LZYBPNLTSA-N
MW275.69 g/mol
LogP3.49
Rot. Bonds3

About 5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid

5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid (PubChem CID 17384577) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid
PubChem CID17384577
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(/N=C/c2ccccc2Cl)ccc1O
InChIInChI=1S/C14H10ClNO3/c15-12-4-2-1-3-9(12)8-16-10-5-6-13(17)11(7-10)14(18)19/h1-8,17H,(H,18,19)/b16-8+
InChIKeyXCKPCAXWYBQLOP-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'}

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Related Compounds

2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid
CID 139080072
2-hydroxy-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzoic acid
CID 126114890
2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
CID 135657353
phenyl 5-[(2,5-dihydroxyphenyl)methylideneamino]-2-hydroxybenzoate
CID 135492530
5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
CID 50885110
carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304
5-[[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylideneamino]-2-hydroxybenzoic acid
CID 126025515
8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid
CID 10733705
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzoic acid
CID 961431
5-[2-[2-[2-(3-carboxy-4-hydroxyphenyl)ethenyl]phenyl]ethenyl]-2-hydroxybenzoic acid
CID 54231084
2-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylic acid
CID 174908564
5-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-chlorobenzoic acid
CID 126391337

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid (CID 17384577) is 5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid is O=C(O)c1cc(/N=C/c2ccccc2Cl)ccc1O.
What is the InChIKey of 5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid?
The InChIKey is XCKPCAXWYBQLOP-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-12-4-2-1-3-9(12)8-16-10-5-6-13(17)11(7-10)14(18)19/h1-8,17H,(H,18,19)/b16-8+.
What are the key properties of 5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid?
5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic 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 5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 17384577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).