5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine

C12H10BrN3 — CID 115051030

IUPAC5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine
SMILESCc1nc(N)cc2c1[nH]c1cccc(Br)c12
InChIInChI=1S/C12H10BrN3/c1-6-12-7(5-10(14)15-6)11-8(13)3-2-4-9(11)16-12/h2-5,16H,1H3,(H2,14,15)
InChIKeyDHUPBNXNUSYKSA-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.37
Rot. Bonds

About 5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine

5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 115051030) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is 5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound Name5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine
PubChem CID115051030
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC Name5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine
SMILESCc1nc(N)cc2c1[nH]c1cccc(Br)c12
InChIInChI=1S/C12H10BrN3/c1-6-12-7(5-10(14)15-6)11-8(13)3-2-4-9(11)16-12/h2-5,16H,1H3,(H2,14,15)
InChIKeyDHUPBNXNUSYKSA-UHFFFAOYSA-N
XLogP3.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of 5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine (CID 115051030) is 5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for 5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for 5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine is Cc1nc(N)cc2c1[nH]c1cccc(Br)c12.
What is the InChIKey of 5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is DHUPBNXNUSYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3/c1-6-12-7(5-10(14)15-6)11-8(13)3-2-4-9(11)16-12/h2-5,16H,1H3,(H2,14,15).
What are the key properties of 5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine?
5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 276.14 g/mol, XLogP of 3.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 115051030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).