6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde

C10H11FN2O — CID 171058354

IUPAC6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde
SMILESCC1(C)CN(C=O)c2cc(F)cnc21
InChIInChI=1S/C10H11FN2O/c1-10(2)5-13(6-14)8-3-7(11)4-12-9(8)10/h3-4,6H,5H2,1-2H3
InChIKeyRJWSBMFYGBSNDL-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.47
Rot. Bonds1

About 6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde

6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde (PubChem CID 171058354) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde
PubChem CID171058354
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde
SMILESCC1(C)CN(C=O)c2cc(F)cnc21
InChIInChI=1S/C10H11FN2O/c1-10(2)5-13(6-14)8-3-7(11)4-12-9(8)10/h3-4,6H,5H2,1-2H3
InChIKeyRJWSBMFYGBSNDL-UHFFFAOYSA-N
XLogP1.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
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 6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde?
The IUPAC name of 6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde (CID 171058354) is 6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde.
What is the SMILES notation for 6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde?
The canonical SMILES for 6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde is CC1(C)CN(C=O)c2cc(F)cnc21.
What is the InChIKey of 6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde?
The InChIKey is RJWSBMFYGBSNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-10(2)5-13(6-14)8-3-7(11)4-12-9(8)10/h3-4,6H,5H2,1-2H3.
What are the key properties of 6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde?
6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde has a molecular weight of 194.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carbaldehyde is sourced from PubChem (CID 171058354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).