3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde

C12H9N3O — CID 23559431

IUPAC3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde
SMILESNc1cc2c(cn1)[nH]c1ccc(C=O)cc12
InChIInChI=1S/C12H9N3O/c13-12-4-9-8-3-7(6-16)1-2-10(8)15-11(9)5-14-12/h1-6,15H,(H2,13,14)
InChIKeyVAQOEDDCKWJJIX-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.11
Rot. Bonds1

About 3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde

3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde (PubChem CID 23559431) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde.

Molecular Properties

Compound Name3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde
PubChem CID23559431
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde
SMILESNc1cc2c(cn1)[nH]c1ccc(C=O)cc12
InChIInChI=1S/C12H9N3O/c13-12-4-9-8-3-7(6-16)1-2-10(8)15-11(9)5-14-12/h1-6,15H,(H2,13,14)
InChIKeyVAQOEDDCKWJJIX-UHFFFAOYSA-N
XLogP2.11
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 18671949
6-methyl-9H-pyrido[3,4-b]indol-3-amine
CID 115021046
6-fluoro-9H-pyrido[3,4-b]indol-3-amine
CID 115022160
2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde
CID 23559428
6,7-dimethyl-9H-carbazole-3-carbaldehyde
CID 12733102
6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde
CID 57130109
7-chloro-9H-pyrido[3,4-b]indol-3-amine
CID 115030362
7-fluoro-9H-carbazole-3-carbaldehyde
CID 90202443
7-bromo-9H-pyrido[3,4-b]indol-3-amine
CID 115048933
2-oxo-1H-quinazoline-6-carbaldehyde
CID 141113840
2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde
CID 87140887
4-amino-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-12-ol
CID 70942309

Frequently Asked Questions

What is the IUPAC name of 3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde?
The IUPAC name of 3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde (CID 23559431) is 3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde.
What is the SMILES notation for 3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde?
The canonical SMILES for 3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde is Nc1cc2c(cn1)[nH]c1ccc(C=O)cc12.
What is the InChIKey of 3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde?
The InChIKey is VAQOEDDCKWJJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-12-4-9-8-3-7(6-16)1-2-10(8)15-11(9)5-14-12/h1-6,15H,(H2,13,14).
What are the key properties of 3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde?
3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde has a molecular weight of 211.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde is sourced from PubChem (CID 23559431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).