2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid

C16H13N3O3 — CID 3388118

IUPAC2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
SMILESCn1c(O)c(/N=N/c2ccccc2C(=O)O)c2ccccc21
InChIInChI=1S/C16H13N3O3/c1-19-13-9-5-3-7-11(13)14(15(19)20)18-17-12-8-4-2-6-10(12)16(21)22/h2-9,20H,1H3,(H,21,22)/b18-17+
InChIKeyCTWADTVDHSLFEE-ISLYRVAYSA-N
MW295.30 g/mol
LogP4.00
Rot. Bonds3

About 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid

2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid (PubChem CID 3388118) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
PubChem CID3388118
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
SMILESCn1c(O)c(/N=N/c2ccccc2C(=O)O)c2ccccc21
InChIInChI=1S/C16H13N3O3/c1-19-13-9-5-3-7-11(13)14(15(19)20)18-17-12-8-4-2-6-10(12)16(21)22/h2-9,20H,1H3,(H,21,22)/b18-17+
InChIKeyCTWADTVDHSLFEE-ISLYRVAYSA-N
XLogP4.00
TPSA87.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883
2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 3784946
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-3-phenylquinazolin-4-one
CID 3101801
1-(4-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443748
1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135495300
1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443504
1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol
CID 135982575
(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
CID 137263545
1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine
CID 135529719
N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide
CID 3821867
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-1,3-thiazol-4-one
CID 4566658

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid?
The IUPAC name of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid (CID 3388118) is 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid.
What is the SMILES notation for 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid?
The canonical SMILES for 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid is Cn1c(O)c(/N=N/c2ccccc2C(=O)O)c2ccccc21.
What is the InChIKey of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid?
The InChIKey is CTWADTVDHSLFEE-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-19-13-9-5-3-7-11(13)14(15(19)20)18-17-12-8-4-2-6-10(12)16(21)22/h2-9,20H,1H3,(H,21,22)/b18-17+.
What are the key properties of 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid?
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid has a molecular weight of 295.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid is sourced from PubChem (CID 3388118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).