[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol

C10H8BrF2N3O — CID 114166751

IUPAC[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H8BrF2N3O/c11-7-1-2-8(12)6(10(7)13)3-16-9(4-17)14-5-15-16/h1-2,5,17H,3-4H2
InChIKeyOXKFSZHNQCJQNR-UHFFFAOYSA-N
MW304.09 g/mol
LogP1.86
Rot. Bonds3

About [2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol

[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 114166751) has the molecular formula C10H8BrF2N3O and a molecular weight of 304.09 g/mol. Its IUPAC name is [2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID114166751
Molecular FormulaC10H8BrF2N3O
Molecular Weight304.09 g/mol
Exact Mass302.98
IUPAC Name[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C10H8BrF2N3O/c11-7-1-2-8(12)6(10(7)13)3-16-9(4-17)14-5-15-16/h1-2,5,17H,3-4H2
InChIKeyOXKFSZHNQCJQNR-UHFFFAOYSA-N
XLogP1.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.09
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 103049909
[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 105408744
1-[(3-bromo-2,6-difluorophenyl)methyl]indazole
CID 114166471
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
1-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylpyrazole-4-carboxylic acid
CID 106264462
[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406934
6-amino-2-[(3-bromo-2,6-difluorophenyl)methyl]pyridazin-3-one
CID 114166631
[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 81114047
[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 102620083
2-[(3-bromo-2,6-difluorophenyl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 106269647
1-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylimidazole
CID 106269522
1-[(3-bromo-2,6-difluorophenyl)methyl]indazol-3-amine
CID 106270947

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol (CID 114166751) is [2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol is OCc1ncnn1Cc1c(F)ccc(Br)c1F.
What is the InChIKey of [2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is OXKFSZHNQCJQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2N3O/c11-7-1-2-8(12)6(10(7)13)3-16-9(4-17)14-5-15-16/h1-2,5,17H,3-4H2.
What are the key properties of [2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 304.09 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 114166751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).