6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole

C13H15BrN2 — CID 146510775

IUPAC6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole
SMILESCC1=C2Nc3c(Br)cccc3C2(C)CNC1
InChIInChI=1S/C13H15BrN2/c1-8-6-15-7-13(2)9-4-3-5-10(14)11(9)16-12(8)13/h3-5,15-16H,6-7H2,1-2H3
InChIKeyHPZMIQPRQANEQF-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.01
Rot. Bonds

About 6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole

6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole (PubChem CID 146510775) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole
PubChem CID146510775
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole
SMILESCC1=C2Nc3c(Br)cccc3C2(C)CNC1
InChIInChI=1S/C13H15BrN2/c1-8-6-15-7-13(2)9-4-3-5-10(14)11(9)16-12(8)13/h3-5,15-16H,6-7H2,1-2H3
InChIKeyHPZMIQPRQANEQF-UHFFFAOYSA-N
XLogP3.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole (CID 146510775) is 6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole is CC1=C2Nc3c(Br)cccc3C2(C)CNC1.
What is the InChIKey of 6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is HPZMIQPRQANEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-8-6-15-7-13(2)9-4-3-5-10(14)11(9)16-12(8)13/h3-5,15-16H,6-7H2,1-2H3.
What are the key properties of 6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole?
6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 279.18 g/mol, XLogP of 3.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,9b-dimethyl-1,2,3,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 146510775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).