(5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol

C10H9BrFN3O — CID 106461163

IUPAC(5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol
SMILESCn1nnc(Br)c1C(O)c1cccc(F)c1
InChIInChI=1S/C10H9BrFN3O/c1-15-8(10(11)13-14-15)9(16)6-3-2-4-7(12)5-6/h2-5,9,16H,1H3
InChIKeyFAIZVHFYCHEYIT-UHFFFAOYSA-N
MW286.10 g/mol
LogP1.80
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol

(5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol (PubChem CID 106461163) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol
PubChem CID106461163
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol
SMILESCn1nnc(Br)c1C(O)c1cccc(F)c1
InChIInChI=1S/C10H9BrFN3O/c1-15-8(10(11)13-14-15)9(16)6-3-2-4-7(12)5-6/h2-5,9,16H,1H3
InChIKeyFAIZVHFYCHEYIT-UHFFFAOYSA-N
XLogP1.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-(2-Fluorophenyl)-1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 67498210
[5-(4-Fluoro-phenyl)-3-methyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67498408
[5-(3,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 90021444
(4-Fluorophenyl)(1-methyl-1H-1,2,3-triazol-4-yl)methanol
CID 124180140
[5-(2,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 157046445
[5-Bromo-3-(methoxymethyl)triazol-4-yl]-diphenylmethanol
CID 10761918
[5-[(4-Fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204576
[5-[(4-Fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
CID 82204986
[1-Butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82205367
[5-[(4-Fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
CID 82205720
[5-[(4-Fluorophenyl)methyl]-1-hexyltriazol-4-yl]methanol
CID 82206016
2-[5-[(4-Fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206495

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol (CID 106461163) is (5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol is Cn1nnc(Br)c1C(O)c1cccc(F)c1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol?
The InChIKey is FAIZVHFYCHEYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c1-15-8(10(11)13-14-15)9(16)6-3-2-4-7(12)5-6/h2-5,9,16H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol has a molecular weight of 286.10 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 106461163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).