6-bromo-1-chloro-9H-pyrido[3,4-b]indole

C11H6BrClN2 — CID 115051764

IUPAC6-bromo-1-chloro-9H-pyrido[3,4-b]indole
SMILESClc1nccc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C11H6BrClN2/c12-6-1-2-9-8(5-6)7-3-4-14-11(13)10(7)15-9/h1-5,15H
InChIKeyUERFMTPZFPLUGQ-UHFFFAOYSA-N
MW281.54 g/mol
LogP4.13
Rot. Bonds

About 6-bromo-1-chloro-9H-pyrido[3,4-b]indole

6-bromo-1-chloro-9H-pyrido[3,4-b]indole (PubChem CID 115051764) has the molecular formula C11H6BrClN2 and a molecular weight of 281.54 g/mol. Its IUPAC name is 6-bromo-1-chloro-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-bromo-1-chloro-9H-pyrido[3,4-b]indole
PubChem CID115051764
Molecular FormulaC11H6BrClN2
Molecular Weight281.54 g/mol
Exact Mass279.94
IUPAC Name6-bromo-1-chloro-9H-pyrido[3,4-b]indole
SMILESClc1nccc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C11H6BrClN2/c12-6-1-2-9-8(5-6)7-3-4-14-11(13)10(7)15-9/h1-5,15H
InChIKeyUERFMTPZFPLUGQ-UHFFFAOYSA-N
XLogP4.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1,6-dibromo-3-chloro-9H-carbazole
CID 171793473
6-bromo-9-[(6-bromo-1-methylpyrido[3,4-b]indol-9-yl)methyl]-1-methylpyrido[3,4-b]indole;6-bromo-1-methyl-9H-pyrido[3,4-b]indole
CID 158917289
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
8-bromo-1-chloro-[1]benzothiolo[3,2-c]pyridine
CID 155327355
17-bromo-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 88867954
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
8-bromo-5-phenyl-11H-benzo[a]carbazole
CID 176551555
1,6-dibromo-3-methyl-9H-carbazole
CID 171793156
3,6-dibromo-1-ethyl-9H-carbazole
CID 172559525
8-bromo-3,5-dihydropyrrolo[2,3-c]quinolin-4-one
CID 68934746
2,10-dibromo-6-(2-methoxyethoxy)-5,7-dihydroindolo[2,3-b]carbazole
CID 59238921
7-bromo-3-(3-pyridin-2-ylphenyl)-10H-pyrrolo[3,2-a]carbazole
CID 90062469

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-chloro-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-bromo-1-chloro-9H-pyrido[3,4-b]indole (CID 115051764) is 6-bromo-1-chloro-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-bromo-1-chloro-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-bromo-1-chloro-9H-pyrido[3,4-b]indole is Clc1nccc2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 6-bromo-1-chloro-9H-pyrido[3,4-b]indole?
The InChIKey is UERFMTPZFPLUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN2/c12-6-1-2-9-8(5-6)7-3-4-14-11(13)10(7)15-9/h1-5,15H.
What are the key properties of 6-bromo-1-chloro-9H-pyrido[3,4-b]indole?
6-bromo-1-chloro-9H-pyrido[3,4-b]indole has a molecular weight of 281.54 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-chloro-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 115051764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).