4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde

C9H7BrN2O — CID 57443579

IUPAC4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCn1cc(C=O)c2c(Br)ccnc21
InChIInChI=1S/C9H7BrN2O/c1-12-4-6(5-13)8-7(10)2-3-11-9(8)12/h2-5H,1H3
InChIKeyCALYOWUXGXUCGC-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.15
Rot. Bonds1

About 4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde

4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 57443579) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID57443579
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCn1cc(C=O)c2c(Br)ccnc21
InChIInChI=1S/C9H7BrN2O/c1-12-4-6(5-13)8-7(10)2-3-11-9(8)12/h2-5H,1H3
InChIKeyCALYOWUXGXUCGC-UHFFFAOYSA-N
XLogP2.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 5372812
3-Bromo-1-methyl-7-azaindole
CID 11229587
1-tert-butyl-5-formyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 47002146
1-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde
CID 10441960
1-Boc-7-Azaindole-3-carboxaldehyde
CID 11806939
2-bromo-1-(1H-pyrrolo(2,3-b)pyridin-3-yl)ethan-1-one
CID 13285356
5-Bromo-1-methyl-1H-pyrrolo[2,3-b]pyridine
CID 15296269
5-Methyl-1H-pyrrolo(2,3-b)pyridine-3-carbaldehyde
CID 18946934
2-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 49759028
Imidazo[1,2-a]pyridine-6-carbaldehyde
CID 7164582
Imidazo(1,2-a)pyridine-8-carbaldehyde
CID 10997174
4-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carbaldehyde
CID 24729564

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 57443579) is 4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde is Cn1cc(C=O)c2c(Br)ccnc21.
What is the InChIKey of 4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is CALYOWUXGXUCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-12-4-6(5-13)8-7(10)2-3-11-9(8)12/h2-5H,1H3.
What are the key properties of 4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 239.07 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 57443579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).