2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide

C12H12ClN3O2 — CID 169206695

IUPAC2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2c(C=O)cc(Cl)nc21
InChIInChI=1S/C12H12ClN3O2/c1-15(2)11(18)6-16-4-3-9-8(7-17)5-10(13)14-12(9)16/h3-5,7H,6H2,1-2H3
InChIKeyZHCUJIBJHNZSRF-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.59
Rot. Bonds3

About 2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide

2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide (PubChem CID 169206695) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide
PubChem CID169206695
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc2c(C=O)cc(Cl)nc21
InChIInChI=1S/C12H12ClN3O2/c1-15(2)11(18)6-16-4-3-9-8(7-17)5-10(13)14-12(9)16/h3-5,7H,6H2,1-2H3
InChIKeyZHCUJIBJHNZSRF-UHFFFAOYSA-N
XLogP1.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide (CID 169206695) is 2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1ccc2c(C=O)cc(Cl)nc21.
What is the InChIKey of 2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide?
The InChIKey is ZHCUJIBJHNZSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-15(2)11(18)6-16-4-3-9-8(7-17)5-10(13)14-12(9)16/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide?
2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide has a molecular weight of 265.70 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-formylpyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 169206695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).