2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine

C14H11FN4O — CID 15957196

IUPAC2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
SMILESCOc1ccc(F)c(-c2n[nH]c(-c3ccccn3)n2)c1
InChIInChI=1S/C14H11FN4O/c1-20-9-5-6-11(15)10(8-9)13-17-14(19-18-13)12-4-2-3-7-16-12/h2-8H,1H3,(H,17,18,19)
InChIKeyKQRQGJDJOYUONT-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.68
Rot. Bonds3

About 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine

2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine (PubChem CID 15957196) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
PubChem CID15957196
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
SMILESCOc1ccc(F)c(-c2n[nH]c(-c3ccccn3)n2)c1
InChIInChI=1S/C14H11FN4O/c1-20-9-5-6-11(15)10(8-9)13-17-14(19-18-13)12-4-2-3-7-16-12/h2-8H,1H3,(H,17,18,19)
InChIKeyKQRQGJDJOYUONT-UHFFFAOYSA-N
XLogP2.68
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 24948938
6-(3-Methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662681
3-[(3-Methoxyphenyl)methylsulfanyl]-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 936130
4-(3-methoxyphenyl)-2-(4-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 16193783
6-(3-Methoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 620319
3-(3-Methoxyphenyl)-6-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665515
2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 661041
2-isobutoxy-5-(5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl)benzonitrile
CID 9905684
4-(3-(4-methoxy-3-nitrophenyl)-1H-1,2,4-triazol-5-yl)-2-methylpyridine
CID 22032889
4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839997
3-[5-(3-Trifluoromethoxy-phenyl)-1H-imidazol-2-yl]-pyridine
CID 44345801
N-propyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57391268

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The IUPAC name of 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine (CID 15957196) is 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine.
What is the SMILES notation for 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The canonical SMILES for 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine is COc1ccc(F)c(-c2n[nH]c(-c3ccccn3)n2)c1.
What is the InChIKey of 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
The InChIKey is KQRQGJDJOYUONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-20-9-5-6-11(15)10(8-9)13-17-14(19-18-13)12-4-2-3-7-16-12/h2-8H,1H3,(H,17,18,19).
What are the key properties of 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine?
2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine has a molecular weight of 270.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-5-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine is sourced from PubChem (CID 15957196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).