8-bromo-5H-pyrido[4,3-b]indole

C11H7BrN2 — CID 15550397

IUPAC8-bromo-5H-pyrido[4,3-b]indole
SMILESBrc1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C11H7BrN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-6,14H
InChIKeyQQZKFCZEMHCHMK-UHFFFAOYSA-N
MW247.10 g/mol
LogP3.48
Rot. Bonds

About 8-bromo-5H-pyrido[4,3-b]indole

8-bromo-5H-pyrido[4,3-b]indole (PubChem CID 15550397) has the molecular formula C11H7BrN2 and a molecular weight of 247.10 g/mol. Its IUPAC name is 8-bromo-5H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-bromo-5H-pyrido[4,3-b]indole
PubChem CID15550397
Molecular FormulaC11H7BrN2
Molecular Weight247.10 g/mol
Exact Mass245.98
IUPAC Name8-bromo-5H-pyrido[4,3-b]indole
SMILESBrc1ccc2[nH]c3ccncc3c2c1
InChIInChI=1S/C11H7BrN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-6,14H
InChIKeyQQZKFCZEMHCHMK-UHFFFAOYSA-N
XLogP3.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5H-pyrido[4,3-b]indole?
The IUPAC name of 8-bromo-5H-pyrido[4,3-b]indole (CID 15550397) is 8-bromo-5H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-bromo-5H-pyrido[4,3-b]indole?
The canonical SMILES for 8-bromo-5H-pyrido[4,3-b]indole is Brc1ccc2[nH]c3ccncc3c2c1.
What is the InChIKey of 8-bromo-5H-pyrido[4,3-b]indole?
The InChIKey is QQZKFCZEMHCHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-6,14H.
What are the key properties of 8-bromo-5H-pyrido[4,3-b]indole?
8-bromo-5H-pyrido[4,3-b]indole has a molecular weight of 247.10 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5H-pyrido[4,3-b]indole is sourced from PubChem (CID 15550397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).