6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride

C11H10Cl3N3 — CID 68524321

IUPAC6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride
SMILESCl.Cl.Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C11H8ClN3.2ClH/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6;;/h1-5,15H,13H2;2*1H
InChIKeyMMPZVSRMOOFUMC-UHFFFAOYSA-N
MW290.58 g/mol
LogP3.80
Rot. Bonds

About 6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride

6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride (PubChem CID 68524321) has the molecular formula C11H10Cl3N3 and a molecular weight of 290.58 g/mol. Its IUPAC name is 6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride.

Molecular Properties

Compound Name6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride
PubChem CID68524321
Molecular FormulaC11H10Cl3N3
Molecular Weight290.58 g/mol
Exact Mass288.99
IUPAC Name6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride
SMILESCl.Cl.Nc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C11H8ClN3.2ClH/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6;;/h1-5,15H,13H2;2*1H
InChIKeyMMPZVSRMOOFUMC-UHFFFAOYSA-N
XLogP3.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.58
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride?
The IUPAC name of 6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride (CID 68524321) is 6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride.
What is the SMILES notation for 6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride?
The canonical SMILES for 6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride is Cl.Cl.Nc1cc(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of 6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride?
The InChIKey is MMPZVSRMOOFUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3.2ClH/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6;;/h1-5,15H,13H2;2*1H.
What are the key properties of 6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride?
6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride has a molecular weight of 290.58 g/mol, XLogP of 3.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride is sourced from PubChem (CID 68524321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).