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

C9H7BrClN3O — CID 107617996

IUPAC[4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nncn1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H7BrClN3O/c10-7-2-1-6(3-8(7)11)14-5-12-13-9(14)4-15/h1-3,5,15H,4H2
InChIKeyDYPXUWOVOXCEGP-UHFFFAOYSA-N
MW288.53 g/mol
LogP2.18
Rot. Bonds2

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

[4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 107617996) has the molecular formula C9H7BrClN3O and a molecular weight of 288.53 g/mol. Its IUPAC name is [4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol
PubChem CID107617996
Molecular FormulaC9H7BrClN3O
Molecular Weight288.53 g/mol
Exact Mass286.95
IUPAC Name[4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nncn1-c1ccc(Br)c(Cl)c1
InChIInChI=1S/C9H7BrClN3O/c10-7-2-1-6(3-8(7)11)14-5-12-13-9(14)4-15/h1-3,5,15H,4H2
InChIKeyDYPXUWOVOXCEGP-UHFFFAOYSA-N
XLogP2.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-bromo-6-chloro-4-fluorophenyl)-1,2,4-triazol-3-yl]methanol
CID 107617995
[4-(2,6-dibromophenyl)-1,2,4-triazol-3-yl]methanol
CID 107604959
4-(4-bromo-3-chlorophenyl)-1H-1,2,4-triazol-5-one
CID 107612864
3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole
CID 63385020
4-(4-bromo-3-chlorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 107617166
3-bromo-4-(4-chlorophenyl)-1,2,4-triazole
CID 172992633
5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline
CID 82512361
6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107613979
3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
CID 115395002
1-(4-bromo-3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 107613689
2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol
CID 59127390
5-[3-(chloromethyl)-1,2,4-triazol-4-yl]-N,N,2-trimethylaniline
CID 115379558

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol (CID 107617996) is [4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol is OCc1nncn1-c1ccc(Br)c(Cl)c1.
What is the InChIKey of [4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is DYPXUWOVOXCEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3O/c10-7-2-1-6(3-8(7)11)14-5-12-13-9(14)4-15/h1-3,5,15H,4H2.
What are the key properties of [4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol?
[4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 288.53 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-3-chlorophenyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 107617996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).