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

C8H7BrN2O — CID 57329766

IUPAC4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(Br)c2cc[nH]c2c1=O
InChIInChI=1S/C8H7BrN2O/c1-11-4-6(9)5-2-3-10-7(5)8(11)12/h2-4,10H,1H3
InChIKeySGOWUUBRFPHUIG-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.63
Rot. Bonds

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

4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 57329766) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID57329766
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(Br)c2cc[nH]c2c1=O
InChIInChI=1S/C8H7BrN2O/c1-11-4-6(9)5-2-3-10-7(5)8(11)12/h2-4,10H,1H3
InChIKeySGOWUUBRFPHUIG-UHFFFAOYSA-N
XLogP1.63
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 57329766) is 4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(Br)c2cc[nH]c2c1=O.
What is the InChIKey of 4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is SGOWUUBRFPHUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-11-4-6(9)5-2-3-10-7(5)8(11)12/h2-4,10H,1H3.
What are the key properties of 4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 227.06 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 57329766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).