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

C15H11FN2O — CID 174778475

IUPAC6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c2cc(Cc3cccc(F)c3)cnc12
InChIInChI=1S/C15H11FN2O/c16-13-3-1-2-10(5-13)4-11-6-14-15(18-7-11)12(9-19)8-17-14/h1-3,5-9,17H,4H2
InChIKeyZEXSOGZWFKIPEK-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.11
Rot. Bonds3

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

6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde (PubChem CID 174778475) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
PubChem CID174778475
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESO=Cc1c[nH]c2cc(Cc3cccc(F)c3)cnc12
InChIInChI=1S/C15H11FN2O/c16-13-3-1-2-10(5-13)4-11-6-14-15(18-7-11)12(9-19)8-17-14/h1-3,5-9,17H,4H2
InChIKeyZEXSOGZWFKIPEK-UHFFFAOYSA-N
XLogP3.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.11
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 6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde (CID 174778475) is 6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde is O=Cc1c[nH]c2cc(Cc3cccc(F)c3)cnc12.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The InChIKey is ZEXSOGZWFKIPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-13-3-1-2-10(5-13)4-11-6-14-15(18-7-11)12(9-19)8-17-14/h1-3,5-9,17H,4H2.
What are the key properties of 6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde has a molecular weight of 254.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 174778475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).