5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde

C12H10N2O5 — CID 113372401

IUPAC5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde
SMILESCc1ccc(OCc2ccc(C=O)o2)c([N+](=O)[O-])n1
InChIInChI=1S/C12H10N2O5/c1-8-2-5-11(12(13-8)14(16)17)18-7-10-4-3-9(6-15)19-10/h2-6H,7H2,1H3
InChIKeyDWTSOUSGALIPAU-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.28
Rot. Bonds5

About 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde

5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde (PubChem CID 113372401) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde
PubChem CID113372401
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde
SMILESCc1ccc(OCc2ccc(C=O)o2)c([N+](=O)[O-])n1
InChIInChI=1S/C12H10N2O5/c1-8-2-5-11(12(13-8)14(16)17)18-7-10-4-3-9(6-15)19-10/h2-6H,7H2,1H3
InChIKeyDWTSOUSGALIPAU-UHFFFAOYSA-N
XLogP2.28
TPSA95.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3-[(4-methylphenyl)methoxy]-2-nitropyridine
CID 2800220
5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde
CID 103201880
5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazol-2-amine
CID 79775255
5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbaldehyde
CID 843215
N-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethyl]propan-1-amine
CID 62098823
2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylic acid
CID 60709413
methyl 2-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-3-carboxylate
CID 31120011
4-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]-2-phenyl-1,3-thiazole
CID 5006694
5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde
CID 107285070
5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde
CID 7019247
N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 62187468
1-cyclohexyl-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 115576386

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde (CID 113372401) is 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde is Cc1ccc(OCc2ccc(C=O)o2)c([N+](=O)[O-])n1.
What is the InChIKey of 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde?
The InChIKey is DWTSOUSGALIPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c1-8-2-5-11(12(13-8)14(16)17)18-7-10-4-3-9(6-15)19-10/h2-6H,7H2,1H3.
What are the key properties of 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde?
5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde has a molecular weight of 262.22 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]furan-2-carbaldehyde is sourced from PubChem (CID 113372401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).