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

C12H8N2O — CID 18671949

IUPAC9H-pyrido[3,4-b]indole-6-carbaldehyde
SMILESO=Cc1ccc2[nH]c3cnccc3c2c1
InChIInChI=1S/C12H8N2O/c15-7-8-1-2-11-10(5-8)9-3-4-13-6-12(9)14-11/h1-7,14H
InChIKeyKKZWKUUYKFZKSP-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.53
Rot. Bonds1

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

9H-pyrido[3,4-b]indole-6-carbaldehyde (PubChem CID 18671949) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 9H-pyrido[3,4-b]indole-6-carbaldehyde.

Molecular Properties

Compound Name9H-pyrido[3,4-b]indole-6-carbaldehyde
PubChem CID18671949
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name9H-pyrido[3,4-b]indole-6-carbaldehyde
SMILESO=Cc1ccc2[nH]c3cnccc3c2c1
InChIInChI=1S/C12H8N2O/c15-7-8-1-2-11-10(5-8)9-3-4-13-6-12(9)14-11/h1-7,14H
InChIKeyKKZWKUUYKFZKSP-UHFFFAOYSA-N
XLogP2.53
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-pyrido[3,4-b]indole-6-carbaldehyde?
The IUPAC name of 9H-pyrido[3,4-b]indole-6-carbaldehyde (CID 18671949) is 9H-pyrido[3,4-b]indole-6-carbaldehyde.
What is the SMILES notation for 9H-pyrido[3,4-b]indole-6-carbaldehyde?
The canonical SMILES for 9H-pyrido[3,4-b]indole-6-carbaldehyde is O=Cc1ccc2[nH]c3cnccc3c2c1.
What is the InChIKey of 9H-pyrido[3,4-b]indole-6-carbaldehyde?
The InChIKey is KKZWKUUYKFZKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c15-7-8-1-2-11-10(5-8)9-3-4-13-6-12(9)14-11/h1-7,14H.
What are the key properties of 9H-pyrido[3,4-b]indole-6-carbaldehyde?
9H-pyrido[3,4-b]indole-6-carbaldehyde has a molecular weight of 196.21 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrido[3,4-b]indole-6-carbaldehyde is sourced from PubChem (CID 18671949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).