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

C10H11ClN2O — CID 102942271

IUPAC1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cc2ccn(CCCl)c2c(=O)[nH]1
InChIInChI=1S/C10H11ClN2O/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)
InChIKeyJMGTXWKHPNEKNL-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.88
Rot. Bonds2

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

1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 102942271) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID102942271
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cc2ccn(CCCl)c2c(=O)[nH]1
InChIInChI=1S/C10H11ClN2O/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)
InChIKeyJMGTXWKHPNEKNL-UHFFFAOYSA-N
XLogP1.88
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.88
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-bromoethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 102942268
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
3-(2-chloroethyl)-6-methylpyrimidin-4-one
CID 61224367
1-(2-chloroethyl)pyridin-2-one;hydrochloride
CID 12704874
3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one
CID 82526324
2-(5-chloro-7-methylindol-1-yl)ethanamine
CID 130281365
1-ethyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 53164514
2-(5,7-dimethylindol-1-yl)ethanamine
CID 82490847
8-chloro-3-methyl-2H-isoquinolin-1-one
CID 114517583
ethane;3-methyl-2H-isoquinolin-1-one
CID 144810835
1-(2-chloroethyl)-3-ethylimidazol-2-one
CID 80580275

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one (CID 102942271) is 1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one is Cc1cc2ccn(CCCl)c2c(=O)[nH]1.
What is the InChIKey of 1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is JMGTXWKHPNEKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/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-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 210.66 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-5-methyl-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 102942271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).