5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde

C13H7Cl2NO3 — CID 176548411

IUPAC5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde
SMILESO=Cc1cc(-c2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H7Cl2NO3/c14-11-4-9(5-12(15)6-11)8-1-2-13(16(18)19)10(3-8)7-17/h1-7H
InChIKeyMQPPQHYCAFUCLC-UHFFFAOYSA-N
MW296.11 g/mol
LogP4.38
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde

5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde (PubChem CID 176548411) has the molecular formula C13H7Cl2NO3 and a molecular weight of 296.11 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde
PubChem CID176548411
Molecular FormulaC13H7Cl2NO3
Molecular Weight296.11 g/mol
Exact Mass294.98
IUPAC Name5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde
SMILESO=Cc1cc(-c2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H7Cl2NO3/c14-11-4-9(5-12(15)6-11)8-1-2-13(16(18)19)10(3-8)7-17/h1-7H
InChIKeyMQPPQHYCAFUCLC-UHFFFAOYSA-N
XLogP4.38
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-nitro-5-(4-nitrophenyl)benzaldehyde
CID 178001755
4-(3,5-dichlorophenyl)-1-nitro-2-(trifluoromethyl)benzene
CID 134623765
2-nitro-5-sulfanylbenzaldehyde
CID 54341187
2-nitro-4-(3,4,5-trifluorophenyl)benzaldehyde
CID 176730094
5-bromo-2-nitrobenzaldehyde;hydrobromide
CID 175061203
2-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581
5-(3-chloroprop-1-enyl)-2-nitrobenzaldehyde
CID 169477966
3-(4-chloro-3-nitrophenyl)benzaldehyde
CID 82039643
5-(2-chloroethoxy)-2-nitrobenzaldehyde
CID 14177143
3-(3,5-dichlorophenyl)benzaldehyde
CID 2758152
4-bromo-5-chloro-2-nitrobenzaldehyde
CID 15366549
5-(4-chlorophenyl)-2-nitrophenol
CID 165357612

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde (CID 176548411) is 5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde is O=Cc1cc(-c2cc(Cl)cc(Cl)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde?
The InChIKey is MQPPQHYCAFUCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO3/c14-11-4-9(5-12(15)6-11)8-1-2-13(16(18)19)10(3-8)7-17/h1-7H.
What are the key properties of 5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde?
5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde has a molecular weight of 296.11 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-nitrobenzaldehyde is sourced from PubChem (CID 176548411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).