6-fluoro-9H-pyrido[3,4-b]indole

C11H7FN2 — CID 13441298

IUPAC6-fluoro-9H-pyrido[3,4-b]indole
SMILESFc1ccc2[nH]c3cnccc3c2c1
InChIInChI=1S/C11H7FN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H
InChIKeyAHWZJZOSPUCFPC-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.86
Rot. Bonds

About 6-fluoro-9H-pyrido[3,4-b]indole

6-fluoro-9H-pyrido[3,4-b]indole (PubChem CID 13441298) has the molecular formula C11H7FN2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 6-fluoro-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-fluoro-9H-pyrido[3,4-b]indole
PubChem CID13441298
Molecular FormulaC11H7FN2
Molecular Weight186.19 g/mol
Exact Mass186.06
IUPAC Name6-fluoro-9H-pyrido[3,4-b]indole
SMILESFc1ccc2[nH]c3cnccc3c2c1
InChIInChI=1S/C11H7FN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H
InChIKeyAHWZJZOSPUCFPC-UHFFFAOYSA-N
XLogP2.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-fluoro-9H-pyrido[3,4-b]indole (CID 13441298) is 6-fluoro-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-fluoro-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-fluoro-9H-pyrido[3,4-b]indole is Fc1ccc2[nH]c3cnccc3c2c1.
What is the InChIKey of 6-fluoro-9H-pyrido[3,4-b]indole?
The InChIKey is AHWZJZOSPUCFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H.
What are the key properties of 6-fluoro-9H-pyrido[3,4-b]indole?
6-fluoro-9H-pyrido[3,4-b]indole has a molecular weight of 186.19 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 13441298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).