2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde

C12H9N3O — CID 23559428

IUPAC2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde
SMILESNc1ccc2c(n1)[nH]c1ccc(C=O)cc12
InChIInChI=1S/C12H9N3O/c13-11-4-2-8-9-5-7(6-16)1-3-10(9)14-12(8)15-11/h1-6H,(H3,13,14,15)
InChIKeyTZVJZXIREFLTPN-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.11
Rot. Bonds1

About 2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde

2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde (PubChem CID 23559428) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde.

Molecular Properties

Compound Name2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde
PubChem CID23559428
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde
SMILESNc1ccc2c(n1)[nH]c1ccc(C=O)cc12
InChIInChI=1S/C12H9N3O/c13-11-4-2-8-9-5-7(6-16)1-3-10(9)14-12(8)15-11/h1-6H,(H3,13,14,15)
InChIKeyTZVJZXIREFLTPN-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'}

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Related Compounds

2-chloro-9H-pyrido[2,3-b]indole-6-carbaldehyde
CID 87140887
3-amino-9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 23559431
7-fluoro-9H-carbazole-3-carbaldehyde
CID 90202443
6,7-dimethyl-9H-carbazole-3-carbaldehyde
CID 12733102
9H-pyrido[3,4-b]indole-6-carbaldehyde
CID 18671949
6-buta-1,3-dienyl-9H-carbazole-3-carbaldehyde
CID 57130109
15,24,33-triiodo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaene-6-carbaldehyde
CID 136863718
1-[6-(2-phenylethenyl)-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine
CID 66766011
hexahelicene-2,15-dicarbaldehyde
CID 10667716
1-(2-hydroxyethyl)-9H-carbazole-3,6-dicarbaldehyde
CID 174875105
3-acetyl-1H-indazole-5-carbaldehyde
CID 169168282
2-oxo-1H-quinazoline-6-carbaldehyde
CID 141113840

Frequently Asked Questions

What is the IUPAC name of 2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde?
The IUPAC name of 2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde (CID 23559428) is 2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde.
What is the SMILES notation for 2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde?
The canonical SMILES for 2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde is Nc1ccc2c(n1)[nH]c1ccc(C=O)cc12.
What is the InChIKey of 2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde?
The InChIKey is TZVJZXIREFLTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-11-4-2-8-9-5-7(6-16)1-3-10(9)14-12(8)15-11/h1-6H,(H3,13,14,15).
What are the key properties of 2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde?
2-amino-9H-pyrido[2,3-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 2-amino-9H-pyrido[2,3-b]indole-6-carbaldehyde is sourced from PubChem (CID 23559428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).