3-hydroxy-5-nitrobenzaldehyde

C7H5NO4 — CID 10580244

IUPAC3-hydroxy-5-nitrobenzaldehyde
SMILESO=Cc1cc(O)cc([N+](=O)[O-])c1
InChIInChI=1S/C7H5NO4/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-4,10H
InChIKeyQAGPTXBGYDEOFQ-UHFFFAOYSA-N
MW167.12 g/mol
LogP1.11
Rot. Bonds2

About 3-hydroxy-5-nitrobenzaldehyde

3-hydroxy-5-nitrobenzaldehyde (PubChem CID 10580244) has the molecular formula C7H5NO4 and a molecular weight of 167.12 g/mol. Its IUPAC name is 3-hydroxy-5-nitrobenzaldehyde.

Molecular Properties

Compound Name3-hydroxy-5-nitrobenzaldehyde
PubChem CID10580244
Molecular FormulaC7H5NO4
Molecular Weight167.12 g/mol
Exact Mass167.02
IUPAC Name3-hydroxy-5-nitrobenzaldehyde
SMILESO=Cc1cc(O)cc([N+](=O)[O-])c1
InChIInChI=1S/C7H5NO4/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-4,10H
InChIKeyQAGPTXBGYDEOFQ-UHFFFAOYSA-N
XLogP1.11
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

tris(3,5-dinitrophenol);samarium
CID 10818480
3-iodo-5-nitrobenzaldehyde
CID 71742603
3-(hydroxymethoxy)-5-nitrobenzaldehyde
CID 142809065
3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397
3-bromo-5-nitrobenzaldehyde;methoxymethane
CID 176928747
3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol
CID 139845481
4-hydroxybenzaldehyde;3-nitrobenzaldehyde
CID 157352105
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
CID 175409039
CID 175409039
formamide;3-nitro-5-(4-phenoxyphenyl)phenol
CID 178084048
3-(4-bromobut-1-enyl)-5-nitrobenzaldehyde
CID 170498120
4-bromo-3,5-dinitrobenzaldehyde
CID 91286899

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-nitrobenzaldehyde?
The IUPAC name of 3-hydroxy-5-nitrobenzaldehyde (CID 10580244) is 3-hydroxy-5-nitrobenzaldehyde.
What is the SMILES notation for 3-hydroxy-5-nitrobenzaldehyde?
The canonical SMILES for 3-hydroxy-5-nitrobenzaldehyde is O=Cc1cc(O)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-hydroxy-5-nitrobenzaldehyde?
The InChIKey is QAGPTXBGYDEOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-4,10H.
What are the key properties of 3-hydroxy-5-nitrobenzaldehyde?
3-hydroxy-5-nitrobenzaldehyde has a molecular weight of 167.12 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-nitrobenzaldehyde is sourced from PubChem (CID 10580244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).