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

C14H9ClFN3O — CID 135453948

IUPAC4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1n[nH]c(-c2ccccc2F)n1
InChIInChI=1S/C14H9ClFN3O/c15-8-5-6-12(20)10(7-8)14-17-13(18-19-14)9-3-1-2-4-11(9)16/h1-7,20H,(H,17,18,19)
InChIKeyWBBGFACLNVFUDI-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.64
Rot. Bonds2

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

4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135453948) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135453948
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1n[nH]c(-c2ccccc2F)n1
InChIInChI=1S/C14H9ClFN3O/c15-8-5-6-12(20)10(7-8)14-17-13(18-19-14)9-3-1-2-4-11(9)16/h1-7,20H,(H,17,18,19)
InChIKeyWBBGFACLNVFUDI-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol (CID 135453948) is 4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol is Oc1ccc(Cl)cc1-c1n[nH]c(-c2ccccc2F)n1.
What is the InChIKey of 4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is WBBGFACLNVFUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-8-5-6-12(20)10(7-8)14-17-13(18-19-14)9-3-1-2-4-11(9)16/h1-7,20H,(H,17,18,19).
What are the key properties of 4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
4-chloro-2-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-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-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135453948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).