4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one

C15H13BrN2O — CID 171463057

IUPAC4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccccc1-n1ccc2c(Br)cn(C)c(=O)c21
InChIInChI=1S/C15H13BrN2O/c1-10-5-3-4-6-13(10)18-8-7-11-12(16)9-17(2)15(19)14(11)18/h3-9H,1-2H3
InChIKeyACOKRMSRWZUEDO-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.40
Rot. Bonds1

About 4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one

4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 171463057) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one
PubChem CID171463057
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccccc1-n1ccc2c(Br)cn(C)c(=O)c21
InChIInChI=1S/C15H13BrN2O/c1-10-5-3-4-6-13(10)18-8-7-11-12(16)9-17(2)15(19)14(11)18/h3-9H,1-2H3
InChIKeyACOKRMSRWZUEDO-UHFFFAOYSA-N
XLogP3.40
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,5-dimethylisoquinolin-1-one
CID 134258730
1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
CID 2823220
2-methyl-4-(2-methylphenyl)isoquinolin-1-one
CID 10377377
3-bromo-1-methylindole
CID 13357736
3-bromo-1-methylquinolin-4-one
CID 23279589
4-bromo-7-chloro-2-methylisoquinolin-1-one
CID 133054078
4-bromo-6-fluoro-2-methylisoquinolin-1-one
CID 118021521
3-bromo-7-fluoro-1-methylindole
CID 154562151
5-bromo-2-methylisoquinolin-1-one
CID 82388860
(2R)-1,3-dimethyl-2-[1-(2-methylphenyl)pyrrol-3-yl]-2H-quinazolin-4-one
CID 99965075
4-ethyl-2,8-dimethylisoquinolin-1-one
CID 115063469
2-acetyl-1,4,6-trimethylpyrrolo[2,3-c]pyridin-7-one
CID 159359246

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one (CID 171463057) is 4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one is Cc1ccccc1-n1ccc2c(Br)cn(C)c(=O)c21.
What is the InChIKey of 4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is ACOKRMSRWZUEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-10-5-3-4-6-13(10)18-8-7-11-12(16)9-17(2)15(19)14(11)18/h3-9H,1-2H3.
What are the key properties of 4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one?
4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 317.19 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-1-(2-methylphenyl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 171463057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).