2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid

C16H12N2O3 — CID 139080072

IUPAC2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid
SMILESO=C(O)c1cc(/N=C/c2c[nH]c3ccccc23)ccc1O
InChIInChI=1S/C16H12N2O3/c19-15-6-5-11(7-13(15)16(20)21)17-8-10-9-18-14-4-2-1-3-12(10)14/h1-9,18-19H,(H,20,21)/b17-8+
InChIKeyMQLGFYJQJNJYRU-CAOOACKPSA-N
MW280.28 g/mol
LogP3.32
Rot. Bonds3

About 2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid

2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid (PubChem CID 139080072) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid
PubChem CID139080072
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid
SMILESO=C(O)c1cc(/N=C/c2c[nH]c3ccccc23)ccc1O
InChIInChI=1S/C16H12N2O3/c19-15-6-5-11(7-13(15)16(20)21)17-8-10-9-18-14-4-2-1-3-12(10)14/h1-9,18-19H,(H,20,21)/b17-8+
InChIKeyMQLGFYJQJNJYRU-CAOOACKPSA-N
XLogP3.32
TPSA85.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid
CID 17384577
[3-(1H-indol-3-ylmethylideneamino)phenyl]methanol
CID 681868
1-(1H-indol-3-yl)-N-[4-[2-[4-(1H-indol-3-ylmethylideneamino)phenyl]ethyl]phenyl]methanimine
CID 177388523
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one
CID 3021328
1-(1H-indol-3-yl)-N-quinolin-6-ylmethanimine
CID 3742458
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)methanimine
CID 3459519
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid?
The IUPAC name of 2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid (CID 139080072) is 2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid is O=C(O)c1cc(/N=C/c2c[nH]c3ccccc23)ccc1O.
What is the InChIKey of 2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid?
The InChIKey is MQLGFYJQJNJYRU-CAOOACKPSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15-6-5-11(7-13(15)16(20)21)17-8-10-9-18-14-4-2-1-3-12(10)14/h1-9,18-19H,(H,20,21)/b17-8+.
What are the key properties of 2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid?
2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid has a molecular weight of 280.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(1H-indol-3-ylmethylideneamino)benzoic acid is sourced from PubChem (CID 139080072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).