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

C15H10BrFN2O — CID 66415838

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1cn(Cc2cc(Br)ccc2F)c2ncccc12
InChIInChI=1S/C15H10BrFN2O/c16-12-3-4-14(17)10(6-12)7-19-8-11(9-20)13-2-1-5-18-15(13)19/h1-6,8-9H,7H2
InChIKeyRSLOKLNCXCQVLH-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.80
Rot. Bonds3

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

1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 66415838) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID66415838
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESO=Cc1cn(Cc2cc(Br)ccc2F)c2ncccc12
InChIInChI=1S/C15H10BrFN2O/c16-12-3-4-14(17)10(6-12)7-19-8-11(9-20)13-2-1-5-18-15(13)19/h1-6,8-9H,7H2
InChIKeyRSLOKLNCXCQVLH-UHFFFAOYSA-N
XLogP3.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.80
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-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 66415838) is 1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde is O=Cc1cn(Cc2cc(Br)ccc2F)c2ncccc12.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is RSLOKLNCXCQVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-12-3-4-14(17)10(6-12)7-19-8-11(9-20)13-2-1-5-18-15(13)19/h1-6,8-9H,7H2.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde?
1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 333.16 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 66415838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).