1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole

C18H13FN4 — CID 155522079

IUPAC1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole
SMILESFc1ccccc1-c1ccc(Cn2nnc3ccccc32)cn1
InChIInChI=1S/C18H13FN4/c19-15-6-2-1-5-14(15)16-10-9-13(11-20-16)12-23-18-8-4-3-7-17(18)21-22-23/h1-11H,12H2
InChIKeyLFSGFAHKIYILSN-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.68
Rot. Bonds3

About 1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole

1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole (PubChem CID 155522079) has the molecular formula C18H13FN4 and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole.

Molecular Properties

Compound Name1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole
PubChem CID155522079
Molecular FormulaC18H13FN4
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole
SMILESFc1ccccc1-c1ccc(Cn2nnc3ccccc32)cn1
InChIInChI=1S/C18H13FN4/c19-15-6-2-1-5-14(15)16-10-9-13(11-20-16)12-23-18-8-4-3-7-17(18)21-22-23/h1-11H,12H2
InChIKeyLFSGFAHKIYILSN-UHFFFAOYSA-N
XLogP3.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole?
The IUPAC name of 1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole (CID 155522079) is 1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole.
What is the SMILES notation for 1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole?
The canonical SMILES for 1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole is Fc1ccccc1-c1ccc(Cn2nnc3ccccc32)cn1.
What is the InChIKey of 1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole?
The InChIKey is LFSGFAHKIYILSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4/c19-15-6-2-1-5-14(15)16-10-9-13(11-20-16)12-23-18-8-4-3-7-17(18)21-22-23/h1-11H,12H2.
What are the key properties of 1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole?
1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole has a molecular weight of 304.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole is sourced from PubChem (CID 155522079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).