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

C11H8ClN3 — CID 21362701

IUPAC6-chloro-9H-pyrido[3,4-b]indol-8-amine
SMILESNc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C11H8ClN3/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6/h1-5,15H,13H2
InChIKeyHHZQETZZACUFHE-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.95
Rot. Bonds

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

6-chloro-9H-pyrido[3,4-b]indol-8-amine (PubChem CID 21362701) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 6-chloro-9H-pyrido[3,4-b]indol-8-amine.

Molecular Properties

Compound Name6-chloro-9H-pyrido[3,4-b]indol-8-amine
PubChem CID21362701
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name6-chloro-9H-pyrido[3,4-b]indol-8-amine
SMILESNc1cc(Cl)cc2c1[nH]c1cnccc12
InChIInChI=1S/C11H8ClN3/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6/h1-5,15H,13H2
InChIKeyHHZQETZZACUFHE-UHFFFAOYSA-N
XLogP2.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.95
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?
The IUPAC name of 6-chloro-9H-pyrido[3,4-b]indol-8-amine (CID 21362701) is 6-chloro-9H-pyrido[3,4-b]indol-8-amine.
What is the SMILES notation for 6-chloro-9H-pyrido[3,4-b]indol-8-amine?
The canonical SMILES for 6-chloro-9H-pyrido[3,4-b]indol-8-amine is Nc1cc(Cl)cc2c1[nH]c1cnccc12.
What is the InChIKey of 6-chloro-9H-pyrido[3,4-b]indol-8-amine?
The InChIKey is HHZQETZZACUFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6/h1-5,15H,13H2.
What are the key properties of 6-chloro-9H-pyrido[3,4-b]indol-8-amine?
6-chloro-9H-pyrido[3,4-b]indol-8-amine has a molecular weight of 217.66 g/mol, XLogP of 2.95, 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 is sourced from PubChem (CID 21362701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).