6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride

C12H14ClFN2 — CID 169428435

IUPAC6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride
SMILESCl.Cn1c2c(c3cccc(F)c31)CNCC2
InChIInChI=1S/C12H13FN2.ClH/c1-15-11-5-6-14-7-9(11)8-3-2-4-10(13)12(8)15;/h2-4,14H,5-7H2,1H3;1H
InChIKeyKXJHSAFOCVEGSE-UHFFFAOYSA-N
MW240.71 g/mol
LogP2.38
Rot. Bonds

About 6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride

6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride (PubChem CID 169428435) has the molecular formula C12H14ClFN2 and a molecular weight of 240.71 g/mol. Its IUPAC name is 6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride
PubChem CID169428435
Molecular FormulaC12H14ClFN2
Molecular Weight240.71 g/mol
Exact Mass240.08
IUPAC Name6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride
SMILESCl.Cn1c2c(c3cccc(F)c31)CNCC2
InChIInChI=1S/C12H13FN2.ClH/c1-15-11-5-6-14-7-9(11)8-3-2-4-10(13)12(8)15;/h2-4,14H,5-7H2,1H3;1H
InChIKeyKXJHSAFOCVEGSE-UHFFFAOYSA-N
XLogP2.38
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride (CID 169428435) is 6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride is Cl.Cn1c2c(c3cccc(F)c31)CNCC2.
What is the InChIKey of 6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride?
The InChIKey is KXJHSAFOCVEGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2.ClH/c1-15-11-5-6-14-7-9(11)8-3-2-4-10(13)12(8)15;/h2-4,14H,5-7H2,1H3;1H.
What are the key properties of 6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride?
6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride has a molecular weight of 240.71 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 169428435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).