3-bromo-2-methyl-9H-pyrido[2,3-b]indole

C12H9BrN2 — CID 141493017

IUPAC3-bromo-2-methyl-9H-pyrido[2,3-b]indole
SMILESCc1nc2[nH]c3ccccc3c2cc1Br
InChIInChI=1S/C12H9BrN2/c1-7-10(13)6-9-8-4-2-3-5-11(8)15-12(9)14-7/h2-6H,1H3,(H,14,15)
InChIKeyJSVSVXSBNKRFHJ-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.79
Rot. Bonds

About 3-bromo-2-methyl-9H-pyrido[2,3-b]indole

3-bromo-2-methyl-9H-pyrido[2,3-b]indole (PubChem CID 141493017) has the molecular formula C12H9BrN2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 3-bromo-2-methyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name3-bromo-2-methyl-9H-pyrido[2,3-b]indole
PubChem CID141493017
Molecular FormulaC12H9BrN2
Molecular Weight261.12 g/mol
Exact Mass259.99
IUPAC Name3-bromo-2-methyl-9H-pyrido[2,3-b]indole
SMILESCc1nc2[nH]c3ccccc3c2cc1Br
InChIInChI=1S/C12H9BrN2/c1-7-10(13)6-9-8-4-2-3-5-11(8)15-12(9)14-7/h2-6H,1H3,(H,14,15)
InChIKeyJSVSVXSBNKRFHJ-UHFFFAOYSA-N
XLogP3.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 3-bromo-2-methyl-9H-pyrido[2,3-b]indole (CID 141493017) is 3-bromo-2-methyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 3-bromo-2-methyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 3-bromo-2-methyl-9H-pyrido[2,3-b]indole is Cc1nc2[nH]c3ccccc3c2cc1Br.
What is the InChIKey of 3-bromo-2-methyl-9H-pyrido[2,3-b]indole?
The InChIKey is JSVSVXSBNKRFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2/c1-7-10(13)6-9-8-4-2-3-5-11(8)15-12(9)14-7/h2-6H,1H3,(H,14,15).
What are the key properties of 3-bromo-2-methyl-9H-pyrido[2,3-b]indole?
3-bromo-2-methyl-9H-pyrido[2,3-b]indole has a molecular weight of 261.12 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 141493017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).