4-hydroxybenzaldehyde;3-nitrobenzaldehyde

C14H11NO5 — CID 157352105

IUPAC4-hydroxybenzaldehyde;3-nitrobenzaldehyde
SMILESO=Cc1ccc(O)cc1.O=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H5NO3.C7H6O2/c9-5-6-2-1-3-7(4-6)8(10)11;8-5-6-1-3-7(9)4-2-6/h1-5H;1-5,9H
InChIKeyBHQSVDASEIXYPJ-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.61
Rot. Bonds3

About 4-hydroxybenzaldehyde;3-nitrobenzaldehyde

4-hydroxybenzaldehyde;3-nitrobenzaldehyde (PubChem CID 157352105) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-hydroxybenzaldehyde;3-nitrobenzaldehyde.

Molecular Properties

Compound Name4-hydroxybenzaldehyde;3-nitrobenzaldehyde
PubChem CID157352105
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name4-hydroxybenzaldehyde;3-nitrobenzaldehyde
SMILESO=Cc1ccc(O)cc1.O=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C7H5NO3.C7H6O2/c9-5-6-2-1-3-7(4-6)8(10)11;8-5-6-1-3-7(9)4-2-6/h1-5H;1-5,9H
InChIKeyBHQSVDASEIXYPJ-UHFFFAOYSA-N
XLogP2.61
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze 4-hydroxybenzaldehyde;3-nitrobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 175409039
CID 175409039
4-formylbenzoic acid;3-nitrobenzaldehyde
CID 87574324
benzoic acid;3-nitrobenzaldehyde
CID 174639246
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
formaldehyde;2-nitrobenzaldehyde;3-nitrobenzaldehyde
CID 174961995
N-hydroxy-1-(3-nitrophenyl)methanimine oxide
CID 12527293
3-hydroxy-5-nitrobenzaldehyde
CID 10580244
3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 59310574
3-(4-nitrophenyl)benzaldehyde
CID 46193459
[(4-hydroxyphenyl)methylideneamino] 3-nitrobenzoate
CID 904047
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
N-methyl-1-(3-nitrophenyl)methanimine oxide
CID 4640980

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzaldehyde;3-nitrobenzaldehyde?
The IUPAC name of 4-hydroxybenzaldehyde;3-nitrobenzaldehyde (CID 157352105) is 4-hydroxybenzaldehyde;3-nitrobenzaldehyde.
What is the SMILES notation for 4-hydroxybenzaldehyde;3-nitrobenzaldehyde?
The canonical SMILES for 4-hydroxybenzaldehyde;3-nitrobenzaldehyde is O=Cc1ccc(O)cc1.O=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxybenzaldehyde;3-nitrobenzaldehyde?
The InChIKey is BHQSVDASEIXYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3.C7H6O2/c9-5-6-2-1-3-7(4-6)8(10)11;8-5-6-1-3-7(9)4-2-6/h1-5H;1-5,9H.
What are the key properties of 4-hydroxybenzaldehyde;3-nitrobenzaldehyde?
4-hydroxybenzaldehyde;3-nitrobenzaldehyde has a molecular weight of 273.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzaldehyde;3-nitrobenzaldehyde is sourced from PubChem (CID 157352105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).