7-bromo-9H-pyrido[3,4-b]indol-3-amine

C11H8BrN3 — CID 115048933

IUPAC7-bromo-9H-pyrido[3,4-b]indol-3-amine
SMILESNc1cc2c(cn1)[nH]c1cc(Br)ccc12
InChIInChI=1S/C11H8BrN3/c12-6-1-2-7-8-4-11(13)14-5-10(8)15-9(7)3-6/h1-5,15H,(H2,13,14)
InChIKeyWOXVMCYDNVJGRS-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.06
Rot. Bonds

About 7-bromo-9H-pyrido[3,4-b]indol-3-amine

7-bromo-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 115048933) has the molecular formula C11H8BrN3 and a molecular weight of 262.11 g/mol. Its IUPAC name is 7-bromo-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound Name7-bromo-9H-pyrido[3,4-b]indol-3-amine
PubChem CID115048933
Molecular FormulaC11H8BrN3
Molecular Weight262.11 g/mol
Exact Mass260.99
IUPAC Name7-bromo-9H-pyrido[3,4-b]indol-3-amine
SMILESNc1cc2c(cn1)[nH]c1cc(Br)ccc12
InChIInChI=1S/C11H8BrN3/c12-6-1-2-7-8-4-11(13)14-5-10(8)15-9(7)3-6/h1-5,15H,(H2,13,14)
InChIKeyWOXVMCYDNVJGRS-UHFFFAOYSA-N
XLogP3.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-9H-pyrido[3,4-b]indol-3-amine
CID 115030362
6-methyl-9H-pyrido[3,4-b]indol-3-amine
CID 115021046
6-fluoro-9H-pyrido[3,4-b]indol-3-amine
CID 115022160
3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 23559431
4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol
CID 70942309
6-bromo-2-phenyl-9H-carbazole
CID 118493011
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 156904639
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
7-bromo-2-phenyl-9H-[1,3]oxazolo[5,4-b]carbazole
CID 118256764
12-(4-ethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-amine
CID 70942423
2-[2-bromo-10-(9H-carbazol-2-yl)anthracen-9-yl]-9H-carbazole
CID 171477204

Frequently Asked Questions

What is the IUPAC name of 7-bromo-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of 7-bromo-9H-pyrido[3,4-b]indol-3-amine (CID 115048933) is 7-bromo-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for 7-bromo-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for 7-bromo-9H-pyrido[3,4-b]indol-3-amine is Nc1cc2c(cn1)[nH]c1cc(Br)ccc12.
What is the InChIKey of 7-bromo-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is WOXVMCYDNVJGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3/c12-6-1-2-7-8-4-11(13)14-5-10(8)15-9(7)3-6/h1-5,15H,(H2,13,14).
What are the key properties of 7-bromo-9H-pyrido[3,4-b]indol-3-amine?
7-bromo-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 262.11 g/mol, XLogP of 3.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 115048933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).