[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol

C15H11ClFN3O — CID 82197077

IUPAC[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(F)c2)c1-c1ccccc1Cl
InChIInChI=1S/C15H11ClFN3O/c16-13-7-2-1-6-12(13)15-14(9-21)18-19-20(15)11-5-3-4-10(17)8-11/h1-8,21H,9H2
InChIKeyNKIAMFDXLAANNQ-UHFFFAOYSA-N
MW303.72 g/mol
LogP3.22
Rot. Bonds3

About [5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol

[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol (PubChem CID 82197077) has the molecular formula C15H11ClFN3O and a molecular weight of 303.72 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
PubChem CID82197077
Molecular FormulaC15H11ClFN3O
Molecular Weight303.72 g/mol
Exact Mass303.06
IUPAC Name[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(F)c2)c1-c1ccccc1Cl
InChIInChI=1S/C15H11ClFN3O/c16-13-7-2-1-6-12(13)15-14(9-21)18-19-20(15)11-5-3-4-10(17)8-11/h1-8,21H,9H2
InChIKeyNKIAMFDXLAANNQ-UHFFFAOYSA-N
XLogP3.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194910
[1-(4-chlorophenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82200781
[5-(2-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanamine
CID 82198074
[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 56686728
[1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82197074
[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82198742
[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82197137
4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole
CID 56769520
[1-(3-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanamine
CID 94937660
[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197026
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
1-(3-fluorophenyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 94940465

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol (CID 82197077) is [5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol is OCc1nnn(-c2cccc(F)c2)c1-c1ccccc1Cl.
What is the InChIKey of [5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is NKIAMFDXLAANNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O/c16-13-7-2-1-6-12(13)15-14(9-21)18-19-20(15)11-5-3-4-10(17)8-11/h1-8,21H,9H2.
What are the key properties of [5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol?
[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol has a molecular weight of 303.72 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82197077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).