6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C13H15ClN2 — CID 66911739

IUPAC6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCC1c2[nH]c3ccc(Cl)cc3c2CCN1C
InChIInChI=1S/C13H15ClN2/c1-8-13-10(5-6-16(8)2)11-7-9(14)3-4-12(11)15-13/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyUTSSRRATBCCLAI-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.37
Rot. Bonds

About 6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 66911739) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID66911739
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCC1c2[nH]c3ccc(Cl)cc3c2CCN1C
InChIInChI=1S/C13H15ClN2/c1-8-13-10(5-6-16(8)2)11-7-9(14)3-4-12(11)15-13/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyUTSSRRATBCCLAI-UHFFFAOYSA-N
XLogP3.37
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.37
H-Bond Donors ≤ 51
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-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 66911739) is 6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CC1c2[nH]c3ccc(Cl)cc3c2CCN1C.
What is the InChIKey of 6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is UTSSRRATBCCLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-8-13-10(5-6-16(8)2)11-7-9(14)3-4-12(11)15-13/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 234.73 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 66911739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).