1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone

C10H11ClN2O — CID 1205531

IUPAC1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone
SMILESCC(=O)N1CCc2c(C)cc(Cl)nc21
InChIInChI=1S/C10H11ClN2O/c1-6-5-9(11)12-10-8(6)3-4-13(10)7(2)14/h5H,3-4H2,1-2H3
InChIKeyRVURQNILMXYUQS-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.95
Rot. Bonds

About 1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone

1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone (PubChem CID 1205531) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone
PubChem CID1205531
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone
SMILESCC(=O)N1CCc2c(C)cc(Cl)nc21
InChIInChI=1S/C10H11ClN2O/c1-6-5-9(11)12-10-8(6)3-4-13(10)7(2)14/h5H,3-4H2,1-2H3
InChIKeyRVURQNILMXYUQS-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone (CID 1205531) is 1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone is CC(=O)N1CCc2c(C)cc(Cl)nc21.
What is the InChIKey of 1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone?
The InChIKey is RVURQNILMXYUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6-5-9(11)12-10-8(6)3-4-13(10)7(2)14/h5H,3-4H2,1-2H3.
What are the key properties of 1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone?
1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone has a molecular weight of 210.66 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 1205531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).