6-bromo-9-methylpyrido[2,3-b]indole

C12H9BrN2 — CID 19439810

IUPAC6-bromo-9-methylpyrido[2,3-b]indole
SMILESCn1c2ccc(Br)cc2c2cccnc21
InChIInChI=1S/C12H9BrN2/c1-15-11-5-4-8(13)7-10(11)9-3-2-6-14-12(9)15/h2-7H,1H3
InChIKeyPBGZJWSOJNXLTE-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.49
Rot. Bonds

About 6-bromo-9-methylpyrido[2,3-b]indole

6-bromo-9-methylpyrido[2,3-b]indole (PubChem CID 19439810) has the molecular formula C12H9BrN2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 6-bromo-9-methylpyrido[2,3-b]indole.

Molecular Properties

Compound Name6-bromo-9-methylpyrido[2,3-b]indole
PubChem CID19439810
Molecular FormulaC12H9BrN2
Molecular Weight261.12 g/mol
Exact Mass259.99
IUPAC Name6-bromo-9-methylpyrido[2,3-b]indole
SMILESCn1c2ccc(Br)cc2c2cccnc21
InChIInChI=1S/C12H9BrN2/c1-15-11-5-4-8(13)7-10(11)9-3-2-6-14-12(9)15/h2-7H,1H3
InChIKeyPBGZJWSOJNXLTE-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-methylpyrido[2,3-b]indole?
The IUPAC name of 6-bromo-9-methylpyrido[2,3-b]indole (CID 19439810) is 6-bromo-9-methylpyrido[2,3-b]indole.
What is the SMILES notation for 6-bromo-9-methylpyrido[2,3-b]indole?
The canonical SMILES for 6-bromo-9-methylpyrido[2,3-b]indole is Cn1c2ccc(Br)cc2c2cccnc21.
What is the InChIKey of 6-bromo-9-methylpyrido[2,3-b]indole?
The InChIKey is PBGZJWSOJNXLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2/c1-15-11-5-4-8(13)7-10(11)9-3-2-6-14-12(9)15/h2-7H,1H3.
What are the key properties of 6-bromo-9-methylpyrido[2,3-b]indole?
6-bromo-9-methylpyrido[2,3-b]indole has a molecular weight of 261.12 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-methylpyrido[2,3-b]indole is sourced from PubChem (CID 19439810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).