6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

C9H9N3O — CID 119085910

IUPAC6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCNc1ccc2c(C=O)c[nH]c2n1
InChIInChI=1S/C9H9N3O/c1-10-8-3-2-7-6(5-13)4-11-9(7)12-8/h2-5H,1H3,(H2,10,11,12)
InChIKeySJMHHJRXUFHOPT-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.42
Rot. Bonds2

About 6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 119085910) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID119085910
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCNc1ccc2c(C=O)c[nH]c2n1
InChIInChI=1S/C9H9N3O/c1-10-8-3-2-7-6(5-13)4-11-9(7)12-8/h2-5H,1H3,(H2,10,11,12)
InChIKeySJMHHJRXUFHOPT-UHFFFAOYSA-N
XLogP1.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 119085910) is 6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is CNc1ccc2c(C=O)c[nH]c2n1.
What is the InChIKey of 6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is SJMHHJRXUFHOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-10-8-3-2-7-6(5-13)4-11-9(7)12-8/h2-5H,1H3,(H2,10,11,12).
What are the key properties of 6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde?
6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 119085910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).