1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

C9H7ClN2O — CID 71721068

IUPAC1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C9H7ClN2O/c1-5(13)7-4-11-9-6(7)2-3-8(10)12-9/h2-4H,1H3,(H,11,12)
InChIKeyFILCHYIRLPAXOY-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.42
Rot. Bonds1

About 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone

1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 71721068) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
PubChem CID71721068
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2nc(Cl)ccc12
InChIInChI=1S/C9H7ClN2O/c1-5(13)7-4-11-9-6(7)2-3-8(10)12-9/h2-4H,1H3,(H,11,12)
InChIKeyFILCHYIRLPAXOY-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 123135096
6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 171835152
6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166362984
6-chloro-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167856098
7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide
CID 21434996
1-(6-chloro-4-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 130062797
6-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166362983
7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile
CID 146013293
1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 130062799
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135084
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl formate
CID 174446566
1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 133058495

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 71721068) is 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is CC(=O)c1c[nH]c2nc(Cl)ccc12.
What is the InChIKey of 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The InChIKey is FILCHYIRLPAXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5(13)7-4-11-9-6(7)2-3-8(10)12-9/h2-4H,1H3,(H,11,12).
What are the key properties of 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone has a molecular weight of 194.62 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 71721068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).