5-(3-nitrophenyl)furan-2-carbaldehyde

C11H7NO4 — CID 612417

IUPAC5-(3-nitrophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C11H7NO4/c13-7-10-4-5-11(16-10)8-2-1-3-9(6-8)12(14)15/h1-7H
InChIKeyDXUACWQWQDJZMY-UHFFFAOYSA-N
MW217.18 g/mol
LogP2.67
Rot. Bonds3

About 5-(3-nitrophenyl)furan-2-carbaldehyde

5-(3-nitrophenyl)furan-2-carbaldehyde (PubChem CID 612417) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 5-(3-nitrophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-nitrophenyl)furan-2-carbaldehyde
PubChem CID612417
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name5-(3-nitrophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C11H7NO4/c13-7-10-4-5-11(16-10)8-2-1-3-9(6-8)12(14)15/h1-7H
InChIKeyDXUACWQWQDJZMY-UHFFFAOYSA-N
XLogP2.67
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 52.67
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

5-(2-Chloro-4-nitrophenyl)furan-2-carbaldehyde
CID 619653
5-(3-Nitrophenyl)-2-furoic acid
CID 776815
1-(2-Furyl)-3-(3-nitrophenyl)-2-propen-1-one
CID 5760302
5-(4-Nitrophenyl)-2-furaldehyde
CID 81567
1-(5-Nitro-1-benzofuran-2-YL)ethanone
CID 520023
5-(2-Nitrophenyl)-2-furaldehyde
CID 673649
5-(4-Chloro-2-nitrophenyl)furan-2-carbaldehyde
CID 1268286
1-Benzofuran-2-yl(3-nitrophenyl)methanone
CID 776094
1-(Furan-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 5731382
3-Furan-2-yl-acrylic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester
CID 794519
Ethyl (2Z)-2-[(Z)-benzoyl]-3-[5-(3-nitrophenyl)furan-2-YL]prop-2-enoate
CID 5760102
3-(2-Furyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 5712594

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-nitrophenyl)furan-2-carbaldehyde (CID 612417) is 5-(3-nitrophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-nitrophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-nitrophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 5-(3-nitrophenyl)furan-2-carbaldehyde?
The InChIKey is DXUACWQWQDJZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c13-7-10-4-5-11(16-10)8-2-1-3-9(6-8)12(14)15/h1-7H.
What are the key properties of 5-(3-nitrophenyl)furan-2-carbaldehyde?
5-(3-nitrophenyl)furan-2-carbaldehyde has a molecular weight of 217.18 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 612417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).