2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid

C15H8Cl2FN3O2 — CID 141379249

IUPAC2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)c(Cl)c2)nc1-c1ccccc1F
InChIInChI=1S/C15H8Cl2FN3O2/c16-10-6-5-8(7-11(10)17)21-19-13(14(20-21)15(22)23)9-3-1-2-4-12(9)18/h1-7H,(H,22,23)
InChIKeyLCARRFXLHFOOLJ-UHFFFAOYSA-N
MW352.15 g/mol
LogP4.08
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid

2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid (PubChem CID 141379249) has the molecular formula C15H8Cl2FN3O2 and a molecular weight of 352.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid
PubChem CID141379249
Molecular FormulaC15H8Cl2FN3O2
Molecular Weight352.15 g/mol
Exact Mass351.00
IUPAC Name2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)c(Cl)c2)nc1-c1ccccc1F
InChIInChI=1S/C15H8Cl2FN3O2/c16-10-6-5-8(7-11(10)17)21-19-13(14(20-21)15(22)23)9-3-1-2-4-12(9)18/h1-7H,(H,22,23)
InChIKeyLCARRFXLHFOOLJ-UHFFFAOYSA-N
XLogP4.08
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.15
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid (CID 141379249) is 2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid is O=C(O)c1nn(-c2ccc(Cl)c(Cl)c2)nc1-c1ccccc1F.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid?
The InChIKey is LCARRFXLHFOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FN3O2/c16-10-6-5-8(7-11(10)17)21-19-13(14(20-21)15(22)23)9-3-1-2-4-12(9)18/h1-7H,(H,22,23).
What are the key properties of 2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid?
2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid has a molecular weight of 352.15 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-(2-fluorophenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 141379249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).