1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone

C9H7ClN2O — CID 141368895

IUPAC1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone
SMILESCC(=O)n1ccc2ccc(Cl)nc21
InChIInChI=1S/C9H7ClN2O/c1-6(13)12-5-4-7-2-3-8(10)11-9(7)12/h2-5H,1H3
InChIKeyLZZODCFXMIWGAY-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.35
Rot. Bonds

About 1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone

1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone (PubChem CID 141368895) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone
PubChem CID141368895
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone
SMILESCC(=O)n1ccc2ccc(Cl)nc21
InChIInChI=1S/C9H7ClN2O/c1-6(13)12-5-4-7-2-3-8(10)11-9(7)12/h2-5H,1H3
InChIKeyLZZODCFXMIWGAY-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethanone
CID 141368874
2-(6-chloropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine
CID 57057279
1-indol-1-ylethanone;hydrochloride
CID 21333501
methyl 6-chloro-2-methylpyrrolo[2,3-b]pyridine-1-carboxylate
CID 73013581
1-[6-(methylamino)indol-1-yl]ethanone
CID 133054657
N-(2,6-dichloro-3-pyridinyl)-N-hydroxyacetamide
CID 121269923
1-acetyl-4-aminopyrimidin-2-one;methane
CID 174689479
2-chloro-7-methyl-1,7-naphthyridin-8-one
CID 134828291
(6-chloro-1-ethylpyrrolo[2,3-b]pyridin-2-yl)methanol
CID 59471428
tert-butyl 5-chloropyrrolo[3,2-b]pyridine-1-carboxylate
CID 86689827
7-chloro-1-ethyl-4-oxo-1,8-naphthyridine-3-carbonyl chloride
CID 21434993
1-[6-(difluoromethoxy)indol-1-yl]ethanone
CID 141341359

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone (CID 141368895) is 1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone is CC(=O)n1ccc2ccc(Cl)nc21.
What is the InChIKey of 1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone?
The InChIKey is LZZODCFXMIWGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-6(13)12-5-4-7-2-3-8(10)11-9(7)12/h2-5H,1H3.
What are the key properties of 1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone?
1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone has a molecular weight of 194.62 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrrolo[2,3-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 141368895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).