[1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol

C10H9BrFN3O — CID 62400154

IUPAC[1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccc(Br)cc2F)nn1
InChIInChI=1S/C10H9BrFN3O/c11-8-2-1-7(10(12)3-8)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2
InChIKeyYHKCMQMGZPFOHJ-UHFFFAOYSA-N
MW286.10 g/mol
LogP1.72
Rot. Bonds3

About [1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol

[1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 62400154) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is [1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol
PubChem CID62400154
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name[1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccc(Br)cc2F)nn1
InChIInChI=1S/C10H9BrFN3O/c11-8-2-1-7(10(12)3-8)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2
InChIKeyYHKCMQMGZPFOHJ-UHFFFAOYSA-N
XLogP1.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
1-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 71671583
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207
{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828295
{1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828296
1-((3-Fluorophenyl)methyl)-1H-1,2,3-triazole-4-methanol
CID 24213791
1-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 75176209
[1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474187
(1-(2-bromophenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 46948750
{1-[3-(Trifluoromethyl)benzyl]-1H-1,2,3-triazol-4-yl}methanol
CID 24213795
[1-[(3,5-Dimethylphenyl)methyl]triazol-4-yl]methanol
CID 62400530
[1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanol
CID 127052471

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol (CID 62400154) is [1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol is OCc1cn(Cc2ccc(Br)cc2F)nn1.
What is the InChIKey of [1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is YHKCMQMGZPFOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c11-8-2-1-7(10(12)3-8)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2.
What are the key properties of [1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol?
[1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 286.10 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-2-fluorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62400154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).