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

C14H8F4N4O — CID 135429570

IUPAC4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(F)cc1-c1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C14H8F4N4O/c15-8-2-4-11(23)9(5-8)12-20-13(22-21-12)10-3-1-7(6-19-10)14(16,17)18/h1-6,23H,(H,20,21,22)
InChIKeyBXHXTBVFSUDDBF-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.40
Rot. Bonds2

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

4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135429570) has the molecular formula C14H8F4N4O and a molecular weight of 324.24 g/mol. Its IUPAC name is 4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135429570
Molecular FormulaC14H8F4N4O
Molecular Weight324.24 g/mol
Exact Mass324.06
IUPAC Name4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(F)cc1-c1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C14H8F4N4O/c15-8-2-4-11(23)9(5-8)12-20-13(22-21-12)10-3-1-7(6-19-10)14(16,17)18/h1-6,23H,(H,20,21,22)
InChIKeyBXHXTBVFSUDDBF-UHFFFAOYSA-N
XLogP3.40
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.40
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-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452185
5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452189
5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452192
2-hydroxy-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 135960819
2-Imidazo[1,2-b]pyridazin-3-ylphenol
CID 136013476
2-(5-benzyl-1H-1,2,4-triazol-3-yl)pyridin-3-ol
CID 136085432
5-fluoro-2-[[[3-(1H-pyrazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807237
5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807238
5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807241
5-Fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807249
5-Fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807254

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol (CID 135429570) is 4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol is Oc1ccc(F)cc1-c1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is BXHXTBVFSUDDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N4O/c15-8-2-4-11(23)9(5-8)12-20-13(22-21-12)10-3-1-7(6-19-10)14(16,17)18/h1-6,23H,(H,20,21,22).
What are the key properties of 4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 324.24 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135429570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).