6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

C11H12Cl2N2 — CID 19807233

IUPAC6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCl.Clc1ccc2[nH]c3c(c2c1)CCNC3
InChIInChI=1S/C11H11ClN2.ClH/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10;/h1-2,5,13-14H,3-4,6H2;1H
InChIKeyBZINTWDYEPHEOE-UHFFFAOYSA-N
MW243.14 g/mol
LogP2.89
Rot. Bonds

About 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride

6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 19807233) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
PubChem CID19807233
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
SMILESCl.Clc1ccc2[nH]c3c(c2c1)CCNC3
InChIInChI=1S/C11H11ClN2.ClH/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10;/h1-2,5,13-14H,3-4,6H2;1H
InChIKeyBZINTWDYEPHEOE-UHFFFAOYSA-N
XLogP2.89
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 52.89
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-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride (CID 19807233) is 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is Cl.Clc1ccc2[nH]c3c(c2c1)CCNC3.
What is the InChIKey of 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is BZINTWDYEPHEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2.ClH/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10;/h1-2,5,13-14H,3-4,6H2;1H.
What are the key properties of 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride?
6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride has a molecular weight of 243.14 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 19807233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).