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

C11H6ClNO5 — CID 169331889

IUPAC5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)cc([N+](=O)[O-])c2O)o1
InChIInChI=1S/C11H6ClNO5/c12-6-3-8(10-2-1-7(5-14)18-10)11(15)9(4-6)13(16)17/h1-5,15H
InChIKeyDVIPBROVDSTTIG-UHFFFAOYSA-N
MW267.62 g/mol
LogP3.03
Rot. Bonds3

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

5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde (PubChem CID 169331889) has the molecular formula C11H6ClNO5 and a molecular weight of 267.62 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde
PubChem CID169331889
Molecular FormulaC11H6ClNO5
Molecular Weight267.62 g/mol
Exact Mass266.99
IUPAC Name5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)cc([N+](=O)[O-])c2O)o1
InChIInChI=1S/C11H6ClNO5/c12-6-3-8(10-2-1-7(5-14)18-10)11(15)9(4-6)13(16)17/h1-5,15H
InChIKeyDVIPBROVDSTTIG-UHFFFAOYSA-N
XLogP3.03
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.62
LogP ≤ 53.03
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'}

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Related Compounds

5-(2-hydroxy-5-methyl-3-nitrophenyl)furan-2-carbaldehyde
CID 169334795
5-(2,4-dimethyl-5-nitrophenyl)furan-2-carbaldehyde
CID 3470512
5-(4-tert-butyl-2-nitrophenyl)furan-2-carbaldehyde
CID 169331711
5-(2-bromo-4-fluoro-5-nitrophenyl)furan-2-carbaldehyde
CID 169333305
(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoate
CID 6932977
2-(5-formylfuran-2-yl)-5-nitrobenzonitrile
CID 169331692
2-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 789763
5-(2,4-dimethoxy-3-methyl-5-nitrophenyl)furan-2-carbaldehyde
CID 169332956
(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
CID 91675713
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 9073127
5-(2-nitro-5-phenylsulfanylphenyl)furan-2-carbaldehyde
CID 169331909
5-(5-ethoxy-2-nitrophenyl)furan-2-carbaldehyde
CID 169332012

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde (CID 169331889) is 5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cc(Cl)cc([N+](=O)[O-])c2O)o1.
What is the InChIKey of 5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde?
The InChIKey is DVIPBROVDSTTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO5/c12-6-3-8(10-2-1-7(5-14)18-10)11(15)9(4-6)13(16)17/h1-5,15H.
What are the key properties of 5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde?
5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde has a molecular weight of 267.62 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxy-3-nitrophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169331889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).