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

C10H9ClFN3O — CID 103049909

IUPAC[2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H9ClFN3O/c11-8-1-2-9(12)7(3-8)4-15-10(5-16)13-6-14-15/h1-3,6,16H,4-5H2
InChIKeyXLBKGXHGTAXJAP-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.61
Rot. Bonds3

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

[2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 103049909) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is [2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID103049909
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name[2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1Cc1cc(Cl)ccc1F
InChIInChI=1S/C10H9ClFN3O/c11-8-1-2-9(12)7(3-8)4-15-10(5-16)13-6-14-15/h1-3,6,16H,4-5H2
InChIKeyXLBKGXHGTAXJAP-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

[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 102620083
[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 105408744
[2-[(3-bromo-2,6-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 114166751
[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406934
[2-[(2,4-dinitrophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 66223519
4-bromo-1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-5-amine
CID 114842775
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
N-[[2-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 102620068
N-[[1-[(5-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103050327
[2-(3-fluoropropyl)-1,2,4-triazol-3-yl]methanol
CID 81114047
1-[(5-chloro-2-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 103051638
[1-[(5-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]boronic acid
CID 164658903

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol (CID 103049909) is [2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol is OCc1ncnn1Cc1cc(Cl)ccc1F.
What is the InChIKey of [2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is XLBKGXHGTAXJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c11-8-1-2-9(12)7(3-8)4-15-10(5-16)13-6-14-15/h1-3,6,16H,4-5H2.
What are the key properties of [2-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol?
[2-[(5-chloro-2-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-[(5-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103049909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).