1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone

C9H7ClN2O — CID 133058495

IUPAC1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2c(Cl)cncc12
InChIInChI=1S/C9H7ClN2O/c1-5(13)6-3-12-9-7(6)2-11-4-8(9)10/h2-4,12H,1H3
InChIKeyMZISJDLHYASYIN-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.42
Rot. Bonds1

About 1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone

1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone (PubChem CID 133058495) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
PubChem CID133058495
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2c(Cl)cncc12
InChIInChI=1S/C9H7ClN2O/c1-5(13)6-3-12-9-7(6)2-11-4-8(9)10/h2-4,12H,1H3
InChIKeyMZISJDLHYASYIN-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

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Related Compounds

7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 133063787
7-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53413169
3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one
CID 46398194
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71721068
1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone
CID 154727190
1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 130062824
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135084
3-acetyl-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 123135096
3-acetyl-8-methoxy-1H-quinolin-4-one;1-(4-chloro-8-methoxyquinolin-3-yl)ethanone
CID 158708197
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 102941662
1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 130062799

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone?
The IUPAC name of 1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone (CID 133058495) is 1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone is CC(=O)c1c[nH]c2c(Cl)cncc12.
What is the InChIKey of 1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone?
The InChIKey is MZISJDLHYASYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5(13)6-3-12-9-7(6)2-11-4-8(9)10/h2-4,12H,1H3.
What are the key properties of 1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone?
1-(7-chloro-1H-pyrrolo[3,2-c]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-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone is sourced from PubChem (CID 133058495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).