1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one

C10H11BrN2O — CID 102942268

IUPAC1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cc2ccn(CCBr)c2c(=O)[nH]1
InChIInChI=1S/C10H11BrN2O/c1-7-6-8-2-4-13(5-3-11)9(8)10(14)12-7/h2,4,6H,3,5H2,1H3,(H,12,14)
InChIKeyCHCWWDFFDMYWHK-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.03
Rot. Bonds2

About 1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one

1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 102942268) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID102942268
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cc2ccn(CCBr)c2c(=O)[nH]1
InChIInChI=1S/C10H11BrN2O/c1-7-6-8-2-4-13(5-3-11)9(8)10(14)12-7/h2,4,6H,3,5H2,1H3,(H,12,14)
InChIKeyCHCWWDFFDMYWHK-UHFFFAOYSA-N
XLogP2.03
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 102942271
1-(4-methoxybutyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 102942265
1-cyclobutyl-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 102942272
1-(2-bromoethyl)-6-methylindole
CID 130577129
1-(2-bromoethyl)-2-methylpyrrole
CID 14613880
ethane;3-methyl-2H-isoquinolin-1-one
CID 144810835
3-bromo-1,5-dimethyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 155803961
2-(5,7-dimethylindol-1-yl)ethanamine
CID 82490847
1-ethyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 53164514
2,5-dimethyl-1H-indole;ethane;propane
CID 144992538
5-methyl-6H-furo[2,3-c]pyridin-7-one
CID 143293213
3-(5,7-dimethylindol-1-yl)propan-1-amine
CID 82491687

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one (CID 102942268) is 1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one is Cc1cc2ccn(CCBr)c2c(=O)[nH]1.
What is the InChIKey of 1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is CHCWWDFFDMYWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-7-6-8-2-4-13(5-3-11)9(8)10(14)12-7/h2,4,6H,3,5H2,1H3,(H,12,14).
What are the key properties of 1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 255.11 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 102942268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).