2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide

C15H10N4O5 — CID 135976516

IUPAC2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H10N4O5/c20-12-6-5-8(19(23)24)7-10(12)14(21)18-17-13-9-3-1-2-4-11(9)16-15(13)22/h1-7,16,20,22H/b18-17+
InChIKeyAMKIVZZYMQEORC-ISLYRVAYSA-N
MW326.27 g/mol
LogP3.41
Rot. Bonds3

About 2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide

2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide (PubChem CID 135976516) has the molecular formula C15H10N4O5 and a molecular weight of 326.27 g/mol. Its IUPAC name is 2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide
PubChem CID135976516
Molecular FormulaC15H10N4O5
Molecular Weight326.27 g/mol
Exact Mass326.07
IUPAC Name2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H10N4O5/c20-12-6-5-8(19(23)24)7-10(12)14(21)18-17-13-9-3-1-2-4-11(9)16-15(13)22/h1-7,16,20,22H/b18-17+
InChIKeyAMKIVZZYMQEORC-ISLYRVAYSA-N
XLogP3.41
TPSA141.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxy-1H-indol-3-yl)imino]-2,5-dinitrobenzamide
CID 3597400
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]pyridine-2-carboxamide
CID 3101810
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
CID 615744
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-4-methyl-2-nitrobenzamide
CID 135592265
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]furan-2-carboxamide
CID 3382763
(2R)-2-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenylacetamide
CID 135617256
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
5-chloro-N-[(6-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-hydroxybenzamide
CID 166643276
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide (CID 135976516) is 2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide?
The InChIKey is AMKIVZZYMQEORC-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H10N4O5/c20-12-6-5-8(19(23)24)7-10(12)14(21)18-17-13-9-3-1-2-4-11(9)16-15(13)22/h1-7,16,20,22H/b18-17+.
What are the key properties of 2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide?
2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide has a molecular weight of 326.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]-5-nitrobenzamide is sourced from PubChem (CID 135976516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).