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

C10H9ClN2O — CID 130062799

IUPAC1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2nc(C)cc(Cl)c12
InChIInChI=1S/C10H9ClN2O/c1-5-3-8(11)9-7(6(2)14)4-12-10(9)13-5/h3-4H,1-2H3,(H,12,13)
InChIKeyYZTHXGFDQFCREZ-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.73
Rot. Bonds1

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

1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (PubChem CID 130062799) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
PubChem CID130062799
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c[nH]c2nc(C)cc(Cl)c12
InChIInChI=1S/C10H9ClN2O/c1-5-3-8(11)9-7(6(2)14)4-12-10(9)13-5/h3-4H,1-2H3,(H,12,13)
InChIKeyYZTHXGFDQFCREZ-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

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Related Compounds

1-(6-chloro-4-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 130062797
1-(4-amino-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone;methane
CID 165397832
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71721068
1-(5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 130062824
1-(2-chloro-6-methylpyrimidin-4-yl)ethanone
CID 142838976
(2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-(2-methylphenyl)methanone
CID 134282882
1-(7-bromo-4-chloro-1H-indol-3-yl)ethanone
CID 154727190
1-(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135068
4,5-dichloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 123651895
1-(5-hydroxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 123135084
N-(3-acetylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224356
1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 133058495

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone (CID 130062799) is 1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is CC(=O)c1c[nH]c2nc(C)cc(Cl)c12.
What is the InChIKey of 1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
The InChIKey is YZTHXGFDQFCREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-5-3-8(11)9-7(6(2)14)4-12-10(9)13-5/h3-4H,1-2H3,(H,12,13).
What are the key properties of 1-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone?
1-(4-chloro-6-methyl-1H-pyrrolo[2,3-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-(4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 130062799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).