1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol

C10H9BrClN3O — CID 103481494

IUPAC1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2cccc(Cl)c2Br)nn1
InChIInChI=1S/C10H9BrClN3O/c1-6(16)8-5-15(14-13-8)9-4-2-3-7(12)10(9)11/h2-6,16H,1H3
InChIKeyUFOKEYAQNCDGQW-UHFFFAOYSA-N
MW302.56 g/mol
LogP2.74
Rot. Bonds2

About 1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol

1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol (PubChem CID 103481494) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is 1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol
PubChem CID103481494
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2cccc(Cl)c2Br)nn1
InChIInChI=1S/C10H9BrClN3O/c1-6(16)8-5-15(14-13-8)9-4-2-3-7(12)10(9)11/h2-6,16H,1H3
InChIKeyUFOKEYAQNCDGQW-UHFFFAOYSA-N
XLogP2.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol (CID 103481494) is 1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol is CC(O)c1cn(-c2cccc(Cl)c2Br)nn1.
What is the InChIKey of 1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol?
The InChIKey is UFOKEYAQNCDGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c1-6(16)8-5-15(14-13-8)9-4-2-3-7(12)10(9)11/h2-6,16H,1H3.
What are the key properties of 1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol?
1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol has a molecular weight of 302.56 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromo-3-chlorophenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 103481494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).