5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde

C14H12N2O2 — CID 169335056

IUPAC5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde
SMILESCc1c2cc(-c3ccc(C=O)o3)ccc2nn1C
InChIInChI=1S/C14H12N2O2/c1-9-12-7-10(3-5-13(12)15-16(9)2)14-6-4-11(8-17)18-14/h3-8H,1-2H3
InChIKeyAGADEVNFZHJHTB-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.95
Rot. Bonds2

About 5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde

5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde (PubChem CID 169335056) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde
PubChem CID169335056
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde
SMILESCc1c2cc(-c3ccc(C=O)o3)ccc2nn1C
InChIInChI=1S/C14H12N2O2/c1-9-12-7-10(3-5-13(12)15-16(9)2)14-6-4-11(8-17)18-14/h3-8H,1-2H3
InChIKeyAGADEVNFZHJHTB-UHFFFAOYSA-N
XLogP2.95
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-3-(5-methoxycarbonyl-2-furyl)indazole
CID 9967388
1-Benzyl-3-(5-methoxymethyl-furan-2-yl)-1H-indazole
CID 10267904
[5-(1-Methylindazol-3-yl)furan-2-yl]methanol
CID 11172212
5-(1-Benzyl-1H-indazol-3-yl)furan-2-carbaldehyde
CID 11312687
[5-(1-Benzylindazol-3-yl)furan-2-yl]methyl acetate
CID 15840367
1-Benzyl-6-fluoro-3-(5-methoxymethyl-furan-2-yl)-1H-indazole
CID 11024165
N-methyl-1-[5-(1-methylindazol-3-yl)furan-2-yl]methanamine
CID 57391890
N,N-dimethyl-1-[5-(1-methylindazol-3-yl)furan-2-yl]methanamine
CID 57393622
4-[[5-(1-Methylindazol-3-yl)furan-2-yl]methyl]morpholine
CID 57393623
2-(Dimethylamino)ethyl 5-(1-benzylindazol-3-yl)furan-2-carboxylate
CID 122179421
1-Benzyl-3-(5-methyl-furan-2-yl)-1H-indazole
CID 10968191
Methyl 5-(1-benzyl-6-fluoroindazol-3-yl)furan-2-carboxylate
CID 11100198

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde (CID 169335056) is 5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde is Cc1c2cc(-c3ccc(C=O)o3)ccc2nn1C.
What is the InChIKey of 5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde?
The InChIKey is AGADEVNFZHJHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-12-7-10(3-5-13(12)15-16(9)2)14-6-4-11(8-17)18-14/h3-8H,1-2H3.
What are the key properties of 5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde?
5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde has a molecular weight of 240.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde is sourced from PubChem (CID 169335056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).