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

C11H11BrN2O — CID 118262322

IUPAC6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCCc1c(C=O)c2ccc(Br)nc2n1C
InChIInChI=1S/C11H11BrN2O/c1-3-9-8(6-15)7-4-5-10(12)13-11(7)14(9)2/h4-6H,3H2,1-2H3
InChIKeyWQWJNXXFFQKGJX-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.71
Rot. Bonds2

About 6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde

6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde (PubChem CID 118262322) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
PubChem CID118262322
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde
SMILESCCc1c(C=O)c2ccc(Br)nc2n1C
InChIInChI=1S/C11H11BrN2O/c1-3-9-8(6-15)7-4-5-10(12)13-11(7)14(9)2/h4-6H,3H2,1-2H3
InChIKeyWQWJNXXFFQKGJX-UHFFFAOYSA-N
XLogP2.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The IUPAC name of 6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde (CID 118262322) is 6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The canonical SMILES for 6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde is CCc1c(C=O)c2ccc(Br)nc2n1C.
What is the InChIKey of 6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
The InChIKey is WQWJNXXFFQKGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-3-9-8(6-15)7-4-5-10(12)13-11(7)14(9)2/h4-6H,3H2,1-2H3.
What are the key properties of 6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde?
6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde has a molecular weight of 267.13 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 118262322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).