[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol

C10H9ClFN3O — CID 102620083

IUPAC[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1Cc1cc(F)ccc1Cl
InChIInChI=1S/C10H9ClFN3O/c11-9-2-1-8(12)3-7(9)4-15-10(5-16)13-6-14-15/h1-3,6,16H,4-5H2
InChIKeyFCXHBRCOHNCHPL-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.61
Rot. Bonds3

About [2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol

[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 102620083) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is [2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID102620083
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1Cc1cc(F)ccc1Cl
InChIInChI=1S/C10H9ClFN3O/c11-9-2-1-8(12)3-7(9)4-15-10(5-16)13-6-14-15/h1-3,6,16H,4-5H2
InChIKeyFCXHBRCOHNCHPL-UHFFFAOYSA-N
XLogP1.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 102620068
[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-[2-[(5-fluoro-2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 105375108
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265
[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol
CID 102619773
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
CID 102622243
[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406934
[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 114166751
[2-[(2,4-dinitrophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 66223519
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 99823533

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol (CID 102620083) is [2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol is OCc1ncnn1Cc1cc(F)ccc1Cl.
What is the InChIKey of [2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is FCXHBRCOHNCHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c11-9-2-1-8(12)3-7(9)4-15-10(5-16)13-6-14-15/h1-3,6,16H,4-5H2.
What are the key properties of [2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 241.65 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 102620083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).