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

C14H11FN4O — CID 135429539

IUPAC4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESCc1cccnc1-c1nc(-c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C14H11FN4O/c1-8-3-2-6-16-12(8)14-17-13(18-19-14)10-7-9(15)4-5-11(10)20/h2-7,20H,1H3,(H,17,18,19)
InChIKeyLZOKMHWLRAFWNT-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.69
Rot. Bonds2

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

4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135429539) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135429539
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESCc1cccnc1-c1nc(-c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C14H11FN4O/c1-8-3-2-6-16-12(8)14-17-13(18-19-14)10-7-9(15)4-5-11(10)20/h2-7,20H,1H3,(H,17,18,19)
InChIKeyLZOKMHWLRAFWNT-UHFFFAOYSA-N
XLogP2.69
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.69
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-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 661041
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol (CID 135429539) is 4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol is Cc1cccnc1-c1nc(-c2cc(F)ccc2O)n[nH]1.
What is the InChIKey of 4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is LZOKMHWLRAFWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-8-3-2-6-16-12(8)14-17-13(18-19-14)10-7-9(15)4-5-11(10)20/h2-7,20H,1H3,(H,17,18,19).
What are the key properties of 4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol?
4-fluoro-2-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 270.27 g/mol, XLogP of 2.69, 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-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135429539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).