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

C14H8ClF3N4O — CID 135429587

IUPAC4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1n[nH]c(-c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C14H8ClF3N4O/c15-7-3-4-10(23)8(6-7)12-20-13(22-21-12)11-9(14(16,17)18)2-1-5-19-11/h1-6,23H,(H,20,21,22)
InChIKeyOQLWVBYWUWHUCK-UHFFFAOYSA-N
MW340.69 g/mol
LogP3.91
Rot. Bonds2

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

4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135429587) has the molecular formula C14H8ClF3N4O and a molecular weight of 340.69 g/mol. Its IUPAC name is 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135429587
Molecular FormulaC14H8ClF3N4O
Molecular Weight340.69 g/mol
Exact Mass340.03
IUPAC Name4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1n[nH]c(-c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C14H8ClF3N4O/c15-7-3-4-10(23)8(6-7)12-20-13(22-21-12)11-9(14(16,17)18)2-1-5-19-11/h1-6,23H,(H,20,21,22)
InChIKeyOQLWVBYWUWHUCK-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

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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
2-[3-(4-chloro-2-methylphenoxymethyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 4730474
4-fluoro-2-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429485
4-fluoro-2-[3-(1-isoquinolyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429497
4-fluoro-2-[3-(6-methyl-2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429511
4-fluoro-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429524
4-chloro-2-[3-[4-(trifluoromethyl)-3-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429526
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
4-Hydroxy-2-[5-(4-trifluoromethyl-pyridin-3-yl)-2H-[1,2,4]triazol-3-yl]-phenol
CID 135429535
4-fluoro-2-[3-(3-methyl-2-pyridyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429539

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol (CID 135429587) is 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol is Oc1ccc(Cl)cc1-c1n[nH]c(-c2ncccc2C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is OQLWVBYWUWHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O/c15-7-3-4-10(23)8(6-7)12-20-13(22-21-12)11-9(14(16,17)18)2-1-5-19-11/h1-6,23H,(H,20,21,22).
What are the key properties of 4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
4-chloro-2-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-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-[5-[3-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135429587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).