2-(2-formylphenyl)-5-nitrobenzaldehyde

C14H9NO4 — CID 102487108

IUPAC2-(2-formylphenyl)-5-nitrobenzaldehyde
SMILESO=Cc1ccccc1-c1ccc([N+](=O)[O-])cc1C=O
InChIInChI=1S/C14H9NO4/c16-8-10-3-1-2-4-13(10)14-6-5-12(15(18)19)7-11(14)9-17/h1-9H
InChIKeyVAGRZKUSQWSMJT-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.89
Rot. Bonds4

About 2-(2-formylphenyl)-5-nitrobenzaldehyde

2-(2-formylphenyl)-5-nitrobenzaldehyde (PubChem CID 102487108) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(2-formylphenyl)-5-nitrobenzaldehyde.

Molecular Properties

Compound Name2-(2-formylphenyl)-5-nitrobenzaldehyde
PubChem CID102487108
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name2-(2-formylphenyl)-5-nitrobenzaldehyde
SMILESO=Cc1ccccc1-c1ccc([N+](=O)[O-])cc1C=O
InChIInChI=1S/C14H9NO4/c16-8-10-3-1-2-4-13(10)14-6-5-12(15(18)19)7-11(14)9-17/h1-9H
InChIKeyVAGRZKUSQWSMJT-UHFFFAOYSA-N
XLogP2.89
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
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

2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-(azetidin-1-yl)-5-nitrobenzaldehyde
CID 130156798
2-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581
2-[4-(2-formylphenyl)naphthalen-1-yl]benzaldehyde
CID 10806790
2-(2-methylsulfanylphenyl)-5-nitrothiobenzaldehyde
CID 18669035
2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-5-nitrobenzaldehyde
CID 165404809
2-(2-bromophenoxy)-5-nitrobenzaldehyde
CID 28888057
bis(2-benzoyl-5-nitrobenzaldehyde);oxalic acid
CID 174955063
2-(2-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113890
2-ethylsulfanyl-5-nitrobenzaldehyde
CID 59191772
5-nitro-2-(3-phenoxypropoxy)benzaldehyde
CID 60602345
2-methoxy-3-(3-nitrophenyl)benzaldehyde;2-methoxy-3-phenylbenzaldehyde
CID 160754801

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenyl)-5-nitrobenzaldehyde?
The IUPAC name of 2-(2-formylphenyl)-5-nitrobenzaldehyde (CID 102487108) is 2-(2-formylphenyl)-5-nitrobenzaldehyde.
What is the SMILES notation for 2-(2-formylphenyl)-5-nitrobenzaldehyde?
The canonical SMILES for 2-(2-formylphenyl)-5-nitrobenzaldehyde is O=Cc1ccccc1-c1ccc([N+](=O)[O-])cc1C=O.
What is the InChIKey of 2-(2-formylphenyl)-5-nitrobenzaldehyde?
The InChIKey is VAGRZKUSQWSMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c16-8-10-3-1-2-4-13(10)14-6-5-12(15(18)19)7-11(14)9-17/h1-9H.
What are the key properties of 2-(2-formylphenyl)-5-nitrobenzaldehyde?
2-(2-formylphenyl)-5-nitrobenzaldehyde has a molecular weight of 255.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenyl)-5-nitrobenzaldehyde is sourced from PubChem (CID 102487108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).