5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one

C14H11BrN2O — CID 66788512

IUPAC5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cncc(Br)c3)ccc21
InChIInChI=1S/C14H11BrN2O/c1-17-13-3-2-9(4-10(13)6-14(17)18)11-5-12(15)8-16-7-11/h2-5,7-8H,6H2,1H3
InChIKeyANWSPNDJPMJKHR-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.03
Rot. Bonds1

About 5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one

5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one (PubChem CID 66788512) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one
PubChem CID66788512
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cncc(Br)c3)ccc21
InChIInChI=1S/C14H11BrN2O/c1-17-13-3-2-9(4-10(13)6-14(17)18)11-5-12(15)8-16-7-11/h2-5,7-8H,6H2,1H3
InChIKeyANWSPNDJPMJKHR-UHFFFAOYSA-N
XLogP3.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one (CID 66788512) is 5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(-c3cncc(Br)c3)ccc21.
What is the InChIKey of 5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one?
The InChIKey is ANWSPNDJPMJKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-17-13-3-2-9(4-10(13)6-14(17)18)11-5-12(15)8-16-7-11/h2-5,7-8H,6H2,1H3.
What are the key properties of 5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one?
5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one has a molecular weight of 303.16 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-pyridinyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 66788512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).