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

C10H9ClFN3O — CID 102619773

IUPAC[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2cc(F)ccc2Cl)nn1
InChIInChI=1S/C10H9ClFN3O/c11-10-2-1-8(12)3-7(10)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2
InChIKeyVHQVVTKHMBPJRI-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.61
Rot. Bonds3

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

[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 102619773) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is [1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol
PubChem CID102619773
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2cc(F)ccc2Cl)nn1
InChIInChI=1S/C10H9ClFN3O/c11-10-2-1-8(12)3-7(10)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2
InChIKeyVHQVVTKHMBPJRI-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

[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol
CID 62399428
[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 65318810
4-(chloromethyl)-1-[(2,5-difluorophenyl)methyl]triazole
CID 62400645
[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 62402021
[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 107309596
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
CID 102622243
4-[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 104539145
4-(2-chloroethyl)-1-[(2,4-difluorophenyl)methyl]triazole
CID 62400097
2-[1-[(5-fluoro-2-nitrophenyl)methyl]triazol-4-yl]ethanol
CID 62402055
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
N-[[1-[(5-fluoro-2-methylphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 105374772
[1-[(5-fluoro-2-methoxyphenyl)methyl]triazol-4-yl]methanamine
CID 55029615

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol (CID 102619773) is [1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol is OCc1cn(Cc2cc(F)ccc2Cl)nn1.
What is the InChIKey of [1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is VHQVVTKHMBPJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c11-10-2-1-8(12)3-7(10)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2.
What are the key properties of [1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol?
[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-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 [1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 102619773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).