5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde

C17H10FN3O2 — CID 169333830

IUPAC5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3nn(-c4ccc(F)cc4)nc3c2)o1
InChIInChI=1S/C17H10FN3O2/c18-12-2-4-13(5-3-12)21-19-15-7-1-11(9-16(15)20-21)17-8-6-14(10-22)23-17/h1-10H
InChIKeyBLVZSEJBWIWAIW-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.63
Rot. Bonds3

About 5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde

5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde (PubChem CID 169333830) has the molecular formula C17H10FN3O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde
PubChem CID169333830
Molecular FormulaC17H10FN3O2
Molecular Weight307.28 g/mol
Exact Mass307.08
IUPAC Name5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3nn(-c4ccc(F)cc4)nc3c2)o1
InChIInChI=1S/C17H10FN3O2/c18-12-2-4-13(5-3-12)21-19-15-7-1-11(9-16(15)20-21)17-8-6-14(10-22)23-17/h1-10H
InChIKeyBLVZSEJBWIWAIW-UHFFFAOYSA-N
XLogP3.63
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]furan-2-carbaldehyde
CID 169334457
5-(2,3-dimethylindazol-5-yl)furan-2-carbaldehyde
CID 169335056
5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169334086
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169334405
5-(1,2-dimethylbenzimidazol-5-yl)furan-2-carbaldehyde
CID 169334354
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-acridin-2-ylfuran-2-carbaldehyde
CID 169333174
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
5-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]furan-2-carbaldehyde
CID 169333546
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
CID 169332554
5-[3-[(2-fluorophenyl)methyl]-4-oxoquinazolin-7-yl]furan-2-carbaldehyde
CID 169333832
N-(4-fluorophenyl)-4-(5-formylfuran-2-yl)benzenesulfonamide
CID 91679893

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde (CID 169333830) is 5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc3nn(-c4ccc(F)cc4)nc3c2)o1.
What is the InChIKey of 5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde?
The InChIKey is BLVZSEJBWIWAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2/c18-12-2-4-13(5-3-12)21-19-15-7-1-11(9-16(15)20-21)17-8-6-14(10-22)23-17/h1-10H.
What are the key properties of 5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde?
5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde has a molecular weight of 307.28 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carbaldehyde is sourced from PubChem (CID 169333830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).