1H-pyrido[4,3-b]indole;hydrochloride

C11H9ClN2 — CID 21499446

IUPAC1H-pyrido[4,3-b]indole;hydrochloride
SMILESC1=NCC2=c3ccccc3=NC2=C1.Cl
InChIInChI=1S/C11H8N2.ClH/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;/h1-6H,7H2;1H
InChIKeyXEQYRYCGOMJRAB-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.86
Rot. Bonds

About 1H-pyrido[4,3-b]indole;hydrochloride

1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 21499446) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name1H-pyrido[4,3-b]indole;hydrochloride
PubChem CID21499446
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name1H-pyrido[4,3-b]indole;hydrochloride
SMILESC1=NCC2=c3ccccc3=NC2=C1.Cl
InChIInChI=1S/C11H8N2.ClH/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;/h1-6H,7H2;1H
InChIKeyXEQYRYCGOMJRAB-UHFFFAOYSA-N
XLogP0.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 1H-pyrido[4,3-b]indole;hydrochloride (CID 21499446) is 1H-pyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 1H-pyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 1H-pyrido[4,3-b]indole;hydrochloride is C1=NCC2=c3ccccc3=NC2=C1.Cl.
What is the InChIKey of 1H-pyrido[4,3-b]indole;hydrochloride?
The InChIKey is XEQYRYCGOMJRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2.ClH/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;/h1-6H,7H2;1H.
What are the key properties of 1H-pyrido[4,3-b]indole;hydrochloride?
1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 21499446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).