4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol

C14H9ClFN3O — CID 155527131

IUPAC4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H9ClFN3O/c15-9-3-6-12(20)11(7-9)14-17-13(18-19-14)8-1-4-10(16)5-2-8/h1-7,20H,(H,17,18,19)
InChIKeyQNUYNRKUIFUDMQ-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.64
Rot. Bonds2

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

4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 155527131) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol
PubChem CID155527131
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H9ClFN3O/c15-9-3-6-12(20)11(7-9)14-17-13(18-19-14)8-1-4-10(16)5-2-8/h1-7,20H,(H,17,18,19)
InChIKeyQNUYNRKUIFUDMQ-UHFFFAOYSA-N
XLogP3.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol 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

3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol
CID 130429150
(6E)-6-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one
CID 389407
2-(5-Phenyl-1H-[1,2,4]triazol-3-yl)-phenol
CID 677535
4-chloro-2-(1H-[1,2,4]triazol-3-yl)-phenol
CID 136163388
4-chloro-2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 135449099
4-chloro-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 137229837
4-chloro-2-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]phenol
CID 155554294
2-{3-[(E)-2-(2-chlorophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
CID 5293994
2-(5-amino-4H-1,2,4-triazol-3-yl)phenol
CID 135649820
4-chloro-2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135400975
2,4-dichloro-6-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135433948
2,4-dichloro-6-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135492508

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol (CID 155527131) is 4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol is Oc1ccc(Cl)cc1-c1nc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is QNUYNRKUIFUDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-9-3-6-12(20)11(7-9)14-17-13(18-19-14)8-1-4-10(16)5-2-8/h1-7,20H,(H,17,18,19).
What are the key properties of 4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol?
4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 289.70 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 155527131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).