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

C11H7NO4 — CID 14690260

IUPAC2-(2-nitrophenyl)furan-3-carbaldehyde
SMILESO=Cc1ccoc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H7NO4/c13-7-8-5-6-16-11(8)9-3-1-2-4-10(9)12(14)15/h1-7H
InChIKeyBASCTYMULSTRTN-UHFFFAOYSA-N
MW217.18 g/mol
LogP2.67
Rot. Bonds3

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

2-(2-nitrophenyl)furan-3-carbaldehyde (PubChem CID 14690260) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2-(2-nitrophenyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-nitrophenyl)furan-3-carbaldehyde
PubChem CID14690260
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name2-(2-nitrophenyl)furan-3-carbaldehyde
SMILESO=Cc1ccoc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H7NO4/c13-7-8-5-6-16-11(8)9-3-1-2-4-10(9)12(14)15/h1-7H
InChIKeyBASCTYMULSTRTN-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

sodium 2-nitrobenzaldehyde
CID 23669302
ethane;2-nitrobenzaldehyde
CID 91029364
6-(2-nitrophenyl)-1,3-benzodioxole-5-carbaldehyde
CID 86153224
2-formyl-6-nitrophenolate
CID 4158950
2-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581
ethanol;2-nitrobenzaldehyde
CID 175129011
3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enal
CID 4771794
ethane;2-(2-nitrophenyl)-1,3-oxazole
CID 91192753
3-nitronaphthalene-2-carbaldehyde
CID 12069028
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
2-(2-nitrophenyl)naphthalene-1-carbaldehyde
CID 10778882
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)furan-3-carbaldehyde?
The IUPAC name of 2-(2-nitrophenyl)furan-3-carbaldehyde (CID 14690260) is 2-(2-nitrophenyl)furan-3-carbaldehyde.
What is the SMILES notation for 2-(2-nitrophenyl)furan-3-carbaldehyde?
The canonical SMILES for 2-(2-nitrophenyl)furan-3-carbaldehyde is O=Cc1ccoc1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)furan-3-carbaldehyde?
The InChIKey is BASCTYMULSTRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c13-7-8-5-6-16-11(8)9-3-1-2-4-10(9)12(14)15/h1-7H.
What are the key properties of 2-(2-nitrophenyl)furan-3-carbaldehyde?
2-(2-nitrophenyl)furan-3-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 2-(2-nitrophenyl)furan-3-carbaldehyde is sourced from PubChem (CID 14690260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).