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

C10H8BrCl2N3O — CID 107794056

IUPAC2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol
SMILESOCCc1cn(-c2ccc(Br)c(Cl)c2Cl)nn1
InChIInChI=1S/C10H8BrCl2N3O/c11-7-1-2-8(10(13)9(7)12)16-5-6(3-4-17)14-15-16/h1-2,5,17H,3-4H2
InChIKeyPHENONSTISKYAB-UHFFFAOYSA-N
MW337.00 g/mol
LogP2.87
Rot. Bonds3

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

2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol (PubChem CID 107794056) has the molecular formula C10H8BrCl2N3O and a molecular weight of 337.00 g/mol. Its IUPAC name is 2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol
PubChem CID107794056
Molecular FormulaC10H8BrCl2N3O
Molecular Weight337.00 g/mol
Exact Mass334.92
IUPAC Name2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol
SMILESOCCc1cn(-c2ccc(Br)c(Cl)c2Cl)nn1
InChIInChI=1S/C10H8BrCl2N3O/c11-7-1-2-8(10(13)9(7)12)16-5-6(3-4-17)14-15-16/h1-2,5,17H,3-4H2
InChIKeyPHENONSTISKYAB-UHFFFAOYSA-N
XLogP2.87
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.00
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-bromo-2-methylphenyl)triazol-4-yl]ethanol
CID 107627317
3-[1-(4-bromo-2-chlorophenyl)triazol-4-yl]propan-1-ol
CID 113374469
2-[1-(2,4-dibromo-5-methoxyphenyl)triazol-4-yl]ethanol
CID 103416839
3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol
CID 114209227
2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
2-[1-(2,4,6-trichlorophenyl)triazol-4-yl]ethanol
CID 62401649
2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol
CID 59526244
[1-(5-bromo-2-chlorophenyl)triazol-4-yl]methanol
CID 62907899
1-(2-bromo-5-iodophenyl)-4-(chloromethyl)triazole
CID 130499578
3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113374472
2-chloro-5-[4-(2-hydroxyethyl)triazol-1-yl]benzaldehyde
CID 142690785
3-[1-(4-bromo-3-chlorophenyl)triazol-4-yl]propanoic acid
CID 107613372

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol (CID 107794056) is 2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol is OCCc1cn(-c2ccc(Br)c(Cl)c2Cl)nn1.
What is the InChIKey of 2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol?
The InChIKey is PHENONSTISKYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2N3O/c11-7-1-2-8(10(13)9(7)12)16-5-6(3-4-17)14-15-16/h1-2,5,17H,3-4H2.
What are the key properties of 2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol?
2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol has a molecular weight of 337.00 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2,3-dichlorophenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 107794056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).