1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole

C18H11FN6 — CID 155536983

IUPAC1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole
SMILESFc1ccc(-c2nc(-c3nn[nH]n3)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C18H11FN6/c19-11-7-5-10(6-8-11)16-17-13(12-3-1-2-4-14(12)20-17)9-15(21-16)18-22-24-25-23-18/h1-9,20H,(H,22,23,24,25)
InChIKeyGOLUONLJMICBFK-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.70
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole

1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole (PubChem CID 155536983) has the molecular formula C18H11FN6 and a molecular weight of 330.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole
PubChem CID155536983
Molecular FormulaC18H11FN6
Molecular Weight330.33 g/mol
Exact Mass330.10
IUPAC Name1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole
SMILESFc1ccc(-c2nc(-c3nn[nH]n3)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C18H11FN6/c19-11-7-5-10(6-8-11)16-17-13(12-3-1-2-4-14(12)20-17)9-15(21-16)18-22-24-25-23-18/h1-9,20H,(H,22,23,24,25)
InChIKeyGOLUONLJMICBFK-UHFFFAOYSA-N
XLogP3.70
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole?
The IUPAC name of 1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole (CID 155536983) is 1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole is Fc1ccc(-c2nc(-c3nn[nH]n3)cc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole?
The InChIKey is GOLUONLJMICBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN6/c19-11-7-5-10(6-8-11)16-17-13(12-3-1-2-4-14(12)20-17)9-15(21-16)18-22-24-25-23-18/h1-9,20H,(H,22,23,24,25).
What are the key properties of 1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole?
1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole has a molecular weight of 330.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2H-tetrazol-5-yl)-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 155536983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).