1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol

C11H14N2O2 — CID 166476022

IUPAC1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
SMILESCO.Cc1nccc2cc(C=O)n(C)c12
InChIInChI=1S/C10H10N2O.CH4O/c1-7-10-8(3-4-11-7)5-9(6-13)12(10)2;1-2/h3-6H,1-2H3;2H,1H3
InChIKeyKSFOXHUFJMTAMV-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.30
Rot. Bonds1

About 1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol

1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol (PubChem CID 166476022) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol.

Molecular Properties

Compound Name1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
PubChem CID166476022
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol
SMILESCO.Cc1nccc2cc(C=O)n(C)c12
InChIInChI=1S/C10H10N2O.CH4O/c1-7-10-8(3-4-11-7)5-9(6-13)12(10)2;1-2/h3-6H,1-2H3;2H,1H3
InChIKeyKSFOXHUFJMTAMV-UHFFFAOYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol?
The IUPAC name of 1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol (CID 166476022) is 1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol.
What is the SMILES notation for 1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol?
The canonical SMILES for 1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol is CO.Cc1nccc2cc(C=O)n(C)c12.
What is the InChIKey of 1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol?
The InChIKey is KSFOXHUFJMTAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.CH4O/c1-7-10-8(3-4-11-7)5-9(6-13)12(10)2;1-2/h3-6H,1-2H3;2H,1H3.
What are the key properties of 1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol?
1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol has a molecular weight of 206.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylpyrrolo[2,3-c]pyridine-2-carbaldehyde;methanol is sourced from PubChem (CID 166476022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).