6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde

C9H7FN2O — CID 135394809

IUPAC6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESCn1cc(C=O)c2ncc(F)cc21
InChIInChI=1S/C9H7FN2O/c1-12-4-6(5-13)9-8(12)2-7(10)3-11-9/h2-5H,1H3
InChIKeyHBANAFONBLEIJN-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.52
Rot. Bonds1

About 6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde

6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde (PubChem CID 135394809) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde
PubChem CID135394809
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESCn1cc(C=O)c2ncc(F)cc21
InChIInChI=1S/C9H7FN2O/c1-12-4-6(5-13)9-8(12)2-7(10)3-11-9/h2-5H,1H3
InChIKeyHBANAFONBLEIJN-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
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-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde?
The IUPAC name of 6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde (CID 135394809) is 6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde?
The canonical SMILES for 6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde is Cn1cc(C=O)c2ncc(F)cc21.
What is the InChIKey of 6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde?
The InChIKey is HBANAFONBLEIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-12-4-6(5-13)9-8(12)2-7(10)3-11-9/h2-5H,1H3.
What are the key properties of 6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde?
6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde has a molecular weight of 178.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 135394809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).