1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde

C15H11FN2O — CID 59626162

IUPAC1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H11FN2O/c16-14-3-1-11(2-4-14)9-18-6-5-13-7-12(10-19)8-17-15(13)18/h1-8,10H,9H2
InChIKeyMJUDUHVZXACVRW-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.04
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde

1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde (PubChem CID 59626162) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
PubChem CID59626162
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
SMILESO=Cc1cnc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C15H11FN2O/c16-14-3-1-11(2-4-14)9-18-6-5-13-7-12(10-19)8-17-15(13)18/h1-8,10H,9H2
InChIKeyMJUDUHVZXACVRW-UHFFFAOYSA-N
XLogP3.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.04
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 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde (CID 59626162) is 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde is O=Cc1cnc2c(ccn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is MJUDUHVZXACVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-14-3-1-11(2-4-14)9-18-6-5-13-7-12(10-19)8-17-15(13)18/h1-8,10H,9H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde?
1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 254.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 59626162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).