4-hydroxy-3-nitrobenzaldehyde

C7H5NO4 — CID 18169

IUPAC4-hydroxy-3-nitrobenzaldehyde
SMILESO=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
InChIKeyYTHJCZRFJGXPTL-UHFFFAOYSA-N
MW167.12 g/mol
LogP1.11
Rot. Bonds2

About 4-hydroxy-3-nitrobenzaldehyde

4-hydroxy-3-nitrobenzaldehyde (PubChem CID 18169) has the molecular formula C7H5NO4 and a molecular weight of 167.12 g/mol. Its IUPAC name is 4-hydroxy-3-nitrobenzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-nitrobenzaldehyde
PubChem CID18169
Molecular FormulaC7H5NO4
Molecular Weight167.12 g/mol
Exact Mass167.02
IUPAC Name4-hydroxy-3-nitrobenzaldehyde
SMILESO=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H
InChIKeyYTHJCZRFJGXPTL-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

4-hydroxy-3-nitrobenzaldehyde;iodomethane
CID 174399047
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
2-nitro-4-[(E)-prop-1-enyl]phenol
CID 163947820
3-bromo-4-hydroxybenzaldehyde;3-bromo-4-hydroxy-5-nitrobenzaldehyde
CID 158318447
4-bromo-3-nitrobenzaldehyde
CID 808792
2-(4-formyl-2-nitrophenyl)acetic acid
CID 22931275
4-(4-chlorobut-1-enyl)-2-nitrophenol
CID 170499602
4-bromo-3,5-dinitrobenzaldehyde
CID 91286899
4-[(2-hydroxyphenyl)methylamino]-3-nitrobenzaldehyde
CID 114332727
(1E,6E)-1-(4-hydroxy-3-nitrophenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68554736
4-methoxy-3-nitrobenzaldehyde
CID 700608

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-nitrobenzaldehyde?
The IUPAC name of 4-hydroxy-3-nitrobenzaldehyde (CID 18169) is 4-hydroxy-3-nitrobenzaldehyde.
What is the SMILES notation for 4-hydroxy-3-nitrobenzaldehyde?
The canonical SMILES for 4-hydroxy-3-nitrobenzaldehyde is O=Cc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-3-nitrobenzaldehyde?
The InChIKey is YTHJCZRFJGXPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H.
What are the key properties of 4-hydroxy-3-nitrobenzaldehyde?
4-hydroxy-3-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 4-hydroxy-3-nitrobenzaldehyde is sourced from PubChem (CID 18169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).