4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol

C13H9FN4O — CID 135429485

IUPAC4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1ccc(F)cc1-c1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H9FN4O/c14-8-4-5-11(19)9(7-8)12-16-13(18-17-12)10-3-1-2-6-15-10/h1-7,19H,(H,16,17,18)
InChIKeyWXJKFMLUTGDMKC-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.38
Rot. Bonds2

About 4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol

4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol (PubChem CID 135429485) has the molecular formula C13H9FN4O and a molecular weight of 256.24 g/mol. Its IUPAC name is 4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
PubChem CID135429485
Molecular FormulaC13H9FN4O
Molecular Weight256.24 g/mol
Exact Mass256.08
IUPAC Name4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol
SMILESOc1ccc(F)cc1-c1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C13H9FN4O/c14-8-4-5-11(19)9(7-8)12-16-13(18-17-12)10-3-1-2-6-15-10/h1-7,19H,(H,16,17,18)
InChIKeyWXJKFMLUTGDMKC-UHFFFAOYSA-N
XLogP2.38
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[5-(4-Fluorobenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135518254
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-{[6-(3-Methyl-5-phenyl-pyrazol-1-yl)-pyrimidin-4-yl]-hydrazonomethyl}-phenol
CID 135498029
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol (CID 135429485) is 4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol is Oc1ccc(F)cc1-c1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
The InChIKey is WXJKFMLUTGDMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O/c14-8-4-5-11(19)9(7-8)12-16-13(18-17-12)10-3-1-2-6-15-10/h1-7,19H,(H,16,17,18).
What are the key properties of 4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol?
4-fluoro-2-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol has a molecular weight of 256.24 g/mol, XLogP of 2.38, 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-pyridin-2-yl-1H-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 135429485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).