6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C11H11ClN2 — CID 6484119

IUPAC6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESClc1cccc2c3c([nH]c12)CCNC3
InChIInChI=1S/C11H11ClN2/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9/h1-3,13-14H,4-6H2
InChIKeyOJMGBOSUTDWVFZ-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.47
Rot. Bonds

About 6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 6484119) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID6484119
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESClc1cccc2c3c([nH]c12)CCNC3
InChIInChI=1S/C11H11ClN2/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9/h1-3,13-14H,4-6H2
InChIKeyOJMGBOSUTDWVFZ-UHFFFAOYSA-N
XLogP2.47
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 6484119) is 6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is Clc1cccc2c3c([nH]c12)CCNC3.
What is the InChIKey of 6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is OJMGBOSUTDWVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-9-3-1-2-7-8-6-13-5-4-10(8)14-11(7)9/h1-3,13-14H,4-6H2.
What are the key properties of 6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 206.68 g/mol, XLogP of 2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 6484119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).