1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone

C10H9ClN2O — CID 130062824

IUPAC1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2c(C)cc(Cl)nc12
InChIInChI=1S/C10H9ClN2O/c1-5-3-8(11)13-10-7(6(2)14)4-12-9(5)10/h3-4,12H,1-2H3
InChIKeyGYHQXPSUVJPFRL-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.73
Rot. Bonds1

About 1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone

1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone (PubChem CID 130062824) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
PubChem CID130062824
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2c(C)cc(Cl)nc12
InChIInChI=1S/C10H9ClN2O/c1-5-3-8(11)13-10-7(6(2)14)4-12-9(5)10/h3-4,12H,1-2H3
InChIKeyGYHQXPSUVJPFRL-UHFFFAOYSA-N
XLogP2.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.73
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

5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 131031894
methyl 2-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-fluoroacetate
CID 152639429
3-acetyl-4,7-dimethyl-1H-indole-5-carboxylic acid
CID 83947065
1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 130062799
5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 53399605
1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 133058495
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71721068
1-(6-chloro-4-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 130062797
5-bromo-3,7-dimethyl-1H-pyrrolo[3,2-b]pyridine
CID 130113855
5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine
CID 11030208
3-acetyl-7-chloro-8-methyl-1H-quinolin-4-one
CID 46398194
1-[6-chloro-2-(chloromethyl)-3-pyridinyl]ethanone
CID 146273688

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone (CID 130062824) is 1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone is CC(=O)c1c[nH]c2c(C)cc(Cl)nc12.
What is the InChIKey of 1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
The InChIKey is GYHQXPSUVJPFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-5-3-8(11)13-10-7(6(2)14)4-12-9(5)10/h3-4,12H,1-2H3.
What are the key properties of 1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone?
1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone has a molecular weight of 208.65 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 130062824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).