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

C11H11ClN2 — CID 904970

IUPAC8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESClc1ccc2[nH]c3c(c2c1)CNCC3
InChIInChI=1S/C11H11ClN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2
InChIKeyLCKUBQBEDRQTRC-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.47
Rot. Bonds

About 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 904970) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID904970
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESClc1ccc2[nH]c3c(c2c1)CNCC3
InChIInChI=1S/C11H11ClN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2
InChIKeyLCKUBQBEDRQTRC-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 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 904970) is 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is Clc1ccc2[nH]c3c(c2c1)CNCC3.
What is the InChIKey of 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is LCKUBQBEDRQTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2.
What are the key properties of 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
8-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 8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 904970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).