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

C14H8ClF3N4O — CID 135429526

IUPAC4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nc(-c2cnccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C14H8ClF3N4O/c15-7-1-2-11(23)8(5-7)12-20-13(22-21-12)9-6-19-4-3-10(9)14(16,17)18/h1-6,23H,(H,20,21,22)
InChIKeyFBHFUOVXJKJJKY-UHFFFAOYSA-N
MW340.69 g/mol
LogP3.91
Rot. Bonds2

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

4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 135429526) has the molecular formula C14H8ClF3N4O and a molecular weight of 340.69 g/mol. Its IUPAC name is 4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
PubChem CID135429526
Molecular FormulaC14H8ClF3N4O
Molecular Weight340.69 g/mol
Exact Mass340.03
IUPAC Name4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESOc1ccc(Cl)cc1-c1nc(-c2cnccc2C(F)(F)F)n[nH]1
InChIInChI=1S/C14H8ClF3N4O/c15-7-1-2-11(23)8(5-7)12-20-13(22-21-12)9-6-19-4-3-10(9)14(16,17)18/h1-6,23H,(H,20,21,22)
InChIKeyFBHFUOVXJKJJKY-UHFFFAOYSA-N
XLogP3.91
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-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

2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenol
CID 918274
5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452189
5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807238
4-fluoro-2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429485
4-tert-butyl-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429522
4-nitro-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429523
4-fluoro-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429524
4-methoxy-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429525
4-bromo-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429529
4-methyl-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429530
2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429532
5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429534

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol (CID 135429526) is 4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol is Oc1ccc(Cl)cc1-c1nc(-c2cnccc2C(F)(F)F)n[nH]1.
What is the InChIKey of 4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is FBHFUOVXJKJJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O/c15-7-1-2-11(23)8(5-7)12-20-13(22-21-12)9-6-19-4-3-10(9)14(16,17)18/h1-6,23H,(H,20,21,22).
What are the key properties of 4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 340.69 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 135429526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).