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

C14H9F3N4O — CID 135429578

IUPAC2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)8-5-6-10(18-7-8)13-19-12(20-21-13)9-3-1-2-4-11(9)22/h1-7,22H,(H,19,20,21)
InChIKeyCBXYLVSZCKGMTG-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.26
Rot. Bonds2

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

2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135429578) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135429578
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C14H9F3N4O/c15-14(16,17)8-5-6-10(18-7-8)13-19-12(20-21-13)9-3-1-2-4-11(9)22/h1-7,22H,(H,19,20,21)
InChIKeyCBXYLVSZCKGMTG-UHFFFAOYSA-N
XLogP3.26
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.26
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 2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol (CID 135429578) is 2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol is Oc1ccccc1-c1n[nH]c(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is CBXYLVSZCKGMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c15-14(16,17)8-5-6-10(18-7-8)13-19-12(20-21-13)9-3-1-2-4-11(9)22/h1-7,22H,(H,19,20,21).
What are the key properties of 2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol?
2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 306.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135429578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).