3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

C8H7ClN2O — CID 141182186

IUPAC3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESCc1[nH]c2c(=O)[nH]ccc2c1Cl
InChIInChI=1S/C8H7ClN2O/c1-4-6(9)5-2-3-10-8(12)7(5)11-4/h2-3,11H,1H3,(H,10,12)
InChIKeyRLWARYMLWHZELG-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.82
Rot. Bonds

About 3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (PubChem CID 141182186) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
PubChem CID141182186
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESCc1[nH]c2c(=O)[nH]ccc2c1Cl
InChIInChI=1S/C8H7ClN2O/c1-4-6(9)5-2-3-10-8(12)7(5)11-4/h2-3,11H,1H3,(H,10,12)
InChIKeyRLWARYMLWHZELG-UHFFFAOYSA-N
XLogP1.82
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

8-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 115021368
1,7-dihydropyrido[3,4-d]pyrimidine-2,4,8-trione
CID 82409795
2,3-dibromo-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
CID 11185425
5-chloro-8-methyl-2H-isoquinolin-1-one
CID 114517495
6-amino-5-chloro-2H-isoquinolin-1-one
CID 59756645
2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
CID 74888895
3-methyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 130251567
3,4-dimethyl-1H-pyridin-2-one;ethane
CID 177021392
3-amino-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
CID 53412537
2-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 53412868
3,6,8-trichloro-2-methyl-1H-quinolin-4-one
CID 121236859
10-chloro-1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 70636824

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (CID 141182186) is 3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is Cc1[nH]c2c(=O)[nH]ccc2c1Cl.
What is the InChIKey of 3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The InChIKey is RLWARYMLWHZELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-4-6(9)5-2-3-10-8(12)7(5)11-4/h2-3,11H,1H3,(H,10,12).
What are the key properties of 3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one has a molecular weight of 182.61 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 141182186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).